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Presentations/Presentations_Loos.tex
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\documentclass[a4paper,11pt,noindent]{article}
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\usepackage{mathpazo,libertine}
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\usepackage[version=4]{mhchem}
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\usepackage{amsmath,amsfonts,amssymb,bm,microtype,graphicx,wrapfig,geometry,physics,eurosym,multirow,xcolor,fullpage,etaremune}
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\title{Presentations}
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\author{Pierre-Fran\c{c}ois Loos}
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\date{}
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\begin{document}
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\maketitle
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\section*{Oral communications}
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\begin{etaremune}
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\item (Invited talk) July 2021, TSRC workshop ``Advances in Theory of Electronic Resonances'' (Telluride, US)\\
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Traditional and variational coupled cluster for ground and excited states
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\item (Summer school lecture) June 2021, International summer School in electronic structure Theory: electron correlation in Physics and Chemistry (ISTPC)\\
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GW/BSE methods in chemistry: Computational aspects
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\item (Summer school lecture) April 2021, International summer School in electronic structure Theory: electron correlation in Physics and Chemistry (ISTPC)\\
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Hartree-Fock and post-Hartree-Fock methods: Computational aspects
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\item (General talk) February 2021, Online workshop on wave-function methods in quantum chemistry and nuclear physics (France)\\
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Panorama of the methods in quantum chemistry
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\item (Invited talk) November 2020, Journ\'ees ``Th\'eorie, Mod\'elisation et Simulation'' 2020 (France)\\
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Higher roots of the Schr\"odinger equation
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\item (Selected talk) September 2020, Faraday Discussion (Cambridge, UK)\\
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Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems
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\item (Invited departmental seminar) March 2020, Vrije University (Amsterdam, Netherland)\\
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GW, BSE, eDFT, RPA, and pina colada
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\item (Invited talk) September 2019, Computation and Understanding in Quantum Molecular Science (Toulouse, France)\\
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Selected CI for Excited States
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\item (Invited talk) June 2019, 102nd Canadian Chemistry Conference and Exhibition (Quebec City, Canada)\\
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Quantum chemistry in the complex domain
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\item (Invited talk) May 2019, CECAM workshop: Green's function methods: the next generation 4 (Lausanne, Switzerland)\\
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Green functions and self-consistency: an unhappy marriage?
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\item (Invited departmental seminar) March 2019, Vrije University (Amsterdam, Netherland)\\
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Quantum chemistry in the complex domain
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\item (Winter school lecture) January 2019, TCCM Winter School LTTC (Luchon, France)\\
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Theory and implementation of DFT-based methods
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\item (Invited departmental seminar) December 2018, Donostia International Physics Center (Spain)\\
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Selected CI and Jastrow-free QMC methods for excited states
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\item (Invited talk) August 2018, Molecular Electronic Structure (Metz, France)\\
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Selected CI and Jastrow-free QMC methods for Chemistry
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\item (Selected talk) June 2018, Strong correlation in electronic structure theory (Strasbourg, France)\\
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Green functions and self-consistency: an unhappy marriage?
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\item (Invited departmental seminar) May 2018, University of Cambridge (UK)\\
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Selected CI and Jastrow-free QMC methods for Chemistry
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\item (Winter school lecture) January 2018, TCCM Winter School LTTC (Luchon, France)\\
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Theory and implementation of DFT-based methods
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\item (Selected talk) August 2017, TouCAM 2017 (Toulouse, France)\\
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Dressing the CI matrix with explicit correlation
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\item (Invited departmental seminar) September 2017, University of Basel (Basel, Switzerland)\\
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Expensive methods, cusps, integrals and other stuff
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\item (Selected talk) August 2017, WATOC 2017 (Munich, Germany)\\
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Dressing the CI matrix with explicit correlation
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\item (Invited talk) July 2017, 17th International Conference on Mathematical Methods in Science and Engineering (Cadiz, Spain)\\
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Electron-nucleus cusp dressing in single-determinant wave functions
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\item (Invited departmental seminar) June 2017, University of Aix-Marseille (Marseille, France)\\
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Density-functional theory using finite uniform electron gases
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\item (Invited talk) May 2017, Workshop on ``Theory and applications of RPA and beyond in physics and chemistry'', (Paris, France)\\
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Density-functional theory using finite uniform electron gases
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\item (Invited departmental seminar) March 2017, University of Nantes (Nantes, France)\\
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Density-functional theory using finite uniform electron gases
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\item (Invited talk) December 2016, Australian Symposium in Computational Chemistry (Perth, Australia)\\
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Excited states of Wigner crystals
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\item (Invited talk) September 2016, Molecular Electronic Structure (Buenos Aires, Argentina)\\
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Three-electron integrals over Gaussian basis functions
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\item (Invited talk) August 2016, New Zealand Institute of Chemistry Conference (Queenstown, New Zealand)\\
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How does Chemistry work in one dimension?
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\item (Invited talk) July 2016, 16th International Conference on Mathematical Methods in Science and Engineering (Cadiz, Spain)\\
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Nodal surfaces in quasi-exactly solvable models
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\item (Organizer \& Lecturer) June 2016, 2nd Quantum and Computational Chemistry Student Conference (Cass, New Zealand)\\
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Density-functional theory for molecules
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\item (Invited departmental seminar) June 2016, Institute of Fundamental Sciences, Massey University (Palmerston North, New Zealand):\\
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Density-functional theory using finite and infinite uniform electron gases
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\item (Invited departmental seminar) May 2016, Department of Chemistry, University of Canterbury (Christchurch, New Zealand):\\
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Density-functional theory using finite and infinite uniform electron gases
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\item (Invited talk) January 2016, 7th Asia-Pacific Conference of Theoretical and Computational Chemistry (Kaohsiung, Taiwan)\\
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Three-electron coalescence conditions
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\item (Invited talk) September 2014, Molecular Electronic Structure Workshop (Amasya, Turkey):\\
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How Good are the Hartree-Fock Nodes?
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\item (Invited talk) July 2014, Quantum Monte Carlo in the Apuan Alps IX (Vallico Sotto, Italy):\\
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Electronic-Structure Calculations in a 1D world
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\item (Selected talk) July 2014, 14th Theoretical Chemist Meeting (Paris, France):\\
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DFT and Chemistry in One Dimension
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\item (Winter school lecture) June 2014, Quantum and Computational Chemistry Student Conference (Cass, New Zealand):\\
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Quantum Monte Carlo for electrons
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\item (Invited talk) July 2013, Quantum Monte Carlo in the Apuan Alps VIII (Vallico Sotto, Italy):\\
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Generalized Local Density Approximation in One Dimension
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\item (Invited departmental seminar) June 2013, Physics Colloquium, University of Melbourne (Melbourne, Australia):\\
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Lessons from electron(s) on a (hyper)sphere
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\item (Invited talk) June 2011, Mathematical Methods in Quantum Chemistry (Oberwolfach, Germany):\\
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Lessons from electron(s) on sphere(s)
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\item (Departmental seminar) September 2008, COTAW (Namur, Belgium):\\
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Single-strand breaks induced by low-energy electrons in DNA
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\item (Selected talk) July 2008, 10th Theoretical Chemist Meeting (Dinard, France):\\
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Treatment of biological systems within the Local Self-Consistent Field method
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\item (Selected talk) September 2007, 6th Eastern Theoretical Chemist Meeting (Strasbourg, France):\\
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Theoretical investigation of the geometries and UV/Vis spectra of Poly(L-glutamic acid)
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featuring photochromic azobenzene side chain.
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\item (Departmental seminar) September 2006, Applied Theoretical Chemistry Group (Namur, Belgium): \\
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Theoretical study of solvent effects on the geometries and the spectroscopic properties of coumarin derivatives.
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\end{etaremune}
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\section*{Poster presentations}
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\begin{etaremune}
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\item July 2010, 12th Theoretical Chemist Meeting (Namur, Belgium):\\
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A tale of two electrons: correlation at high density
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\item July 2008, 10th Theoretical Chemist Meeting (Dinard, France):\\
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Electron attachment on biomolecules: including environment effects with hybrid approaches
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\item September 2007, 6th Eastern Theoretical Chemist Meeting (Strasbourg, France):\\
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Single-strand breaks induced by low-energy electrons in DNA
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\item July 2007, Methods and Applications of Computational Chemistry: 2nd Symposium (Kiev, Ukraine):\\
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QM/MM investigation of single-strand breaks induced by low-energy electrons in DNA
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\item November 2006, 15th Conference on Current Trends in Computational Chemistry (Jackson MS, US):\\
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Self-Consistent Localized Bond Orbitals within the Local Self-Consistent Field Method
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\item July 2006, 10th Theoretical Chemist Meeting (Nancy, France):\\
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Taking the core electrons into account to improve the hybrid Quantum Mechanics/Molecular Mechanics Frontier
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\item June 2006, International Society of Quantum Biology and Pharmacology,
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ISQBP President's Meeting (Strasbourg, France):\\
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Taking the core electrons into account to improve the hybrid Quantum Mechanics/Molecular Mechanics Frontier
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\item June 2005, 5th Eastern Theoretical Chemist Meeting (Reims, France):\\
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Optimization of localized orbitals within the local Self-Consistent Field method
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\item June 2004, 10th Numerical Simulation Workshop (Paris Jussieu, France):\\
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Structural investigation of polymer-grafted-silica nanoparticles
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via small-angle neutron scattering: a Monte-Carlo study
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\end{etaremune}
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\end{document}
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Publications/Publications_Loos.tex
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Publications/Publications_Loos.tex
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\documentclass[a4paper,11pt,noindent]{article}
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\usepackage{mathpazo,libertine}
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\usepackage[version=4]{mhchem}
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\usepackage{amsmath,amsfonts,amssymb,bm,microtype,graphicx,wrapfig,geometry,physics,eurosym,multirow,xcolor,fullpage,etaremune}
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\title{Publications}
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\author{Pierre-Fran\c{c}ois Loos}
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\date{}
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\begin{document}
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\maketitle
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\begin{etaremune}
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\item
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\href{https://arxiv.org/pdf/2109.13894.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for bicyclic systems},\\
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\textbf{P. F. Loos*} and D. Jacquemin*,\\
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\textit{J. Phys. Chem. A}, \textbf{2021}, \textit{} (in press).
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/108.pdf}{Accurate full configuration interaction correlation energy estimates for five- and six-membered rings},\\
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Y. Damour, M. V\'eril, F. Kossoski, M. Caffarel, D. Jacquemin*, A. Scemama*, and \textbf{P. F. Loos*},\\
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\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155} 134104.
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\item
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\href{https://arxiv.org/pdf/2108.00311.pdf}{Scrutinizing GW-based methods using the Hubbard dimer},\\
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S. Di Sabatino*, \textbf{P. F. Loos}, and P. Romaniello,\\
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\textit{Front. Chem.}, \textbf{2021}, \textit{9}, 751054.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/106.pdf}{Variational coupled cluster for ground and excited states},\\
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A. Marie, F. Kossoski, and \textbf{P. F. Loos*},\\
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\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155}, 104105.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/105.pdf}{Variations of the Hartree-Fock fractional-spin error for one electron},\\
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H. G. A. Burton*, C. Marut, T. J. Daas, P. Gori-Giorgi, and \textbf{P. F. Loos*},\\
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\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155}, 054107.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/104.pdf}{How accurate are EOM-CC4 vertical excitation energies?},\\
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\textbf{P. F. Loos*}, D. A. Matthews, F. Lipparini, and D. Jacquemin*,\\
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\textit{J. Chem. Phys.}, \textbf{2021}, \textit{154}, 221103.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/103.pdf}{Excited states from state-specific orbital-optimized pair coupled-cluster},\\
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F. Kossoski*, A. Marie, A. Scemama, M. Caffarel, and \textbf{P. F. Loos*},\\
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\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 4756.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/102.pdf}{Reference energies for intramolecular charge-transfer excitations},\\
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\textbf{P. F. Loos*}, M. Comin, X. Blase*, and D. Jacquemin*,\\
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\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 3666.
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\item
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(Book chapter) \href{https://www.irsamc.ups-tlse.fr/loos/pub/101.pdf}{Spin-adapted selected configuration interaction in a determinant basis},\\
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V. G. Chilkuri, T. Applencourt, K. Gasperich, \textbf{P. F. Loos}, and A. Scemama*,\\
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\textit{Adv. Quantum Chem.}, \textbf{2021}, \textit{83}, 65.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/100.pdf}{Spin-conserved and spin-flip optical excitations from the Bethe-Salpeter equation formalism},\\
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E. Monino and \textbf{P. F. Loos*},\\
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\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 2852.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/99.pdf}{Perturbation theory in the complex plane: exceptional points and where to find them},\\
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A. Marie, H. G. A. Burton*, and \textbf{P. F. Loos*},\\
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\textit{J. Phys. Cond. Mat.}, \textbf{2021}, \textit{33}, 283001.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/98.pdf}{QUESTDB: a database of highly-accurate excitation energies for the electronic structure community},\\
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M. V\'eril, A. Scemama, M. Caffarel, F. Lipparini, M. Boggio-Pasqua, D. Jacquemin*, and \textbf{P. F. Loos*},\\
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\textit{WIREs Comput. Mol. Sci.}, \textbf{2021}, \textit{11} e1517.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/97.pdf}{Benchmarking TD-DFT and wave function methods for oscillator strengths and excited-state dipole moments},\\
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R. Sarkar, M. Boggio-Pasqua, \textbf{P. F. Loos*}, and D. Jacquemin*,\\
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\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 1106.
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\item
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\href{https://www.irsamc.ups-tlse.fr/loos/pub/96.pdf}{Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach},\\
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J. A. Berger*, \textbf{P. F. Loos}, and P. Romaniello,\\
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\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 191.
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||||||
|
|
||||||
|
\item
|
||||||
|
\href{https://www.irsamc.ups-tlse.fr/loos/pub/95.pdf}{A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules},\\
|
||||||
|
A. Chrayteh, A. Blondel, \textbf{P. F. Loos}, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 416.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/94.pdf}{Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems},\\
|
||||||
|
C. Marut, B. Senjean, E. Fromager, and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{Faraday Discuss.}, \textbf{2021}, \textit{224}, 402.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/93.pdf}{Dynamical kernels for optical excitations},\\
|
||||||
|
J. Authier and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 184105.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/92.pdf}{The performance of CIPSI on the ground state electronic energy of benzene},\\
|
||||||
|
\textbf{P. F. Loos*}, Y. Damour, and A. Scemama*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 176101.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/91.pdf}{Taming the fixed-node error in diffusion Monte Carlo via range separation},\\
|
||||||
|
A. Scemama*, E. Giner*, A. Benali*, and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 174107.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/90.pdf}{Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation},\\
|
||||||
|
\textbf{P. F. Loos*} and X. Blase*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 114120.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/89.pdf}{Towards a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids: A case study in diamond},\\
|
||||||
|
A. Benali*, K. Gasperich, K. D. Jordan, T. Applencourt, Y. Luo, C. Bennett, J. T. Krogel, L. Shulenburger, P. R. C. Kent, \textbf{P. F. Loos}, A. Scemama, and M. Caffarel*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153} 184111.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/88.pdf}{The Bethe-Salpeter equation formalism: from physics to chemistry},\\
|
||||||
|
X. Blase*, I. Duchemin, D. Jacquemin, and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 7371.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/87.pdf}{Weight-dependent density-functional approximations for ensemble density-functional theory},\\
|
||||||
|
\textbf{P. F. Loos*}, and E. Fromager*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 214101 [Editor's pick].
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/86.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for medium size molecules},\\
|
||||||
|
\textbf{P. F. Loos*}, A. Scemama, M. Boggio-Pasqua, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2020}, \textit{16}, 3720.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/85.pdf}{Pros and cons of the Bethe-Salpeter formalism for ground-state energies},\\
|
||||||
|
\textbf{P. F. Loos*}, A. Scemama, I. Ducheminm, D. Jacquemin*, and X. Blase*,\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 3536.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/84.pdf}{A basis-set error correction based on density-functional theory for strongly correlated molecular systems},\\
|
||||||
|
E. Giner*, A. Scemama, \textbf{P. F. Loos*}, and J. Toulouse*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 174104 [Editor's pick].
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/83.pdf}{The quest for highly accurate excitation energies: a computational perspective},\\
|
||||||
|
\textbf{P. F. Loos*}, A. Scemama, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 2374.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/82.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for medium size molecules},\\
|
||||||
|
\textbf{P. F. Loos*}, F. Lipparini, M. Boggio-Pasqua, A. Scemama, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2020}, \textit{16}, 1711.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/81.pdf}{Is ADC(3) as accurate as CC3 for valence and Rydberg excitation energies?},\\
|
||||||
|
\textbf{P. F. Loos*}, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 974.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/80.pdf}{A density-based basis-set incompleteness correction for $GW$ methods},\\
|
||||||
|
\textbf{P. F. Loos*}, B. Pradines, A. Scemama, E. Giner, and J. Toulouse*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.} (in press).
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/79.pdf}{Capturing static and dynamic correlation with $\Delta$NO-MP2 and $\Delta$NO-CCSD},\\
|
||||||
|
J. W. Hollett* and \textbf{P. F. Loos},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 014101.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/78.pdf}{Wigner localization at extremely low densities: a numerically exact study},\\
|
||||||
|
M. E. Azor, L. Brooke, S. Evangelisti*, T. Leininger, \textbf{P. F. Loos}, N. Suaud, and J. A. Berger*,\\
|
||||||
|
\textit{SciPost Phys. Core}, \textbf{2019}, \textit{1}, 001.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/77.pdf}{Chemically accurate excitation energies with small basis sets},\\
|
||||||
|
E. Giner*, A. Scemama, J. Toulouse, and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2019}, \textit{151}, 144118.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/76.pdf}{Cross comparisons between experiment, TD-DFT, CC and ADC for transition energies},\\
|
||||||
|
C. Suellen, R. Garcia Freitas, \textbf{P. F. Loos}, and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 4581.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/75.pdf}{A density-based basis-set correction for wave function theory},\\
|
||||||
|
\textbf{P. F. Loos*}, B. Pradines, A. Scemama, J. Toulouse*, and E. Giner*,\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2019}, \textit{10}, 2931.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/74.pdf}{Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo},\\
|
||||||
|
A. Scemama, M. Caffarel, A. Benali, D. Jacquemin and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{Res. Chem.}, \textbf{2019}, \textit{1}, 100002.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/73.pdf}{Parity-Time symmetry in Hartree--Fock theory},\\
|
||||||
|
H. G. A. Burton*, A. J. W. Thom and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 4374.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/72.pdf}{Evaluating 0-0 energies with theoretical tools: a short review},\\
|
||||||
|
\textbf{P. F. Loos} and D. Jacquemin*,\\
|
||||||
|
\textit{ChemPhotoChem}, \textbf{2019}, \textit{3}, 684.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/71.pdf}{Quantum Package 2.0: an open-source determinant-driven suite of programs},\\
|
||||||
|
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Fert\'e, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. V\'eril, M. Caffarel, \textbf{P. F. Loos*}, E. Giner* and A. Scemama*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 3591.
|
||||||
|
|
||||||
|
\item
|
||||||
|
(Book chapter) \href{http://www.irsamc.ups-tlse.fr/loos/pub/70.pdf}{Self-consistent electron-nucleus cusp correction for molecular orbitals},\\
|
||||||
|
\textbf{P. F. Loos*}, A. Scemama and M. Caffarel,\\
|
||||||
|
\textit{Adv. Quantum Chem.}, \textbf{2019}, \textit{79}, 113.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/69.pdf}{Chemically accurate 0-0 energies with not-so-accurate excited state geometries},\\
|
||||||
|
\textbf{P. F. Loos} and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 2481.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/68.pdf}{Reference energies for double excitations},\\
|
||||||
|
\textbf{P. F. Loos*}, M. Boggio-Pasqua, A. Scemama, M. Caffarel and D. Jacquemin,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 1939.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/67.pdf}{Complex adiabatic connection: a hidden non-hermitian path from ground to excited states},\\
|
||||||
|
H. G. A. Burton*, A. J. W. Thom* and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2019}, \textit{150}, 041103.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/66.pdf}{Unphysical discontinuities in GW methods},\\
|
||||||
|
M. V\'eril, P. Romaniello, J. A. Berger and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 5220.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/65.pdf}{Theoretical 0-0 energies with chemical accuracy},\\
|
||||||
|
\textbf{P. F. Loos}, N. Galland and D. Jacquemin*,\\
|
||||||
|
\textit{J. Phys. Chem. Lett.}, \textbf{2018}, \textit{9}, 4646.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/64.pdf}{Selected configuration interaction with dressed perturbation},\\
|
||||||
|
Y. Garniron, A. Scemama, E. Giner, M. Caffarel and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2018}, \textit{149}, 064103.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/63.pdf}{Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes},\\
|
||||||
|
A. Scemama, A. Benali, D. Jacquemin, M. Caffarel and \textbf{P. F. Loos*}, \\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2018}, \textit{149}, 034108.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/62.pdf}{A mountaineering strategy to excited states: highly-accurate reference energies and benchmarks},\\
|
||||||
|
\textbf{P. F. Loos,*} A. Scemama, A. Blondel, Y. Garniron, M. Caffarel and D. Jacquemin*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 4360.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/61.pdf}{Distributed gaussian orbitals for the description of electrons in an external potential},\\
|
||||||
|
L. Brooke, A. Diaz-Marquez, S. Evangelisti*, T. Leininger, \textbf{P. F. Loos}, N. Suaud and J. A. Berger*,\\
|
||||||
|
\textit{J. Mod. Mol.}, \textbf{2018}, (in press).
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/60.pdf}{Green functions and self-consistency: insights from the spherium model},\\
|
||||||
|
\textbf{P. F. Loos*}, P. Romaniello and J. A. Berger,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 3071.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/59.pdf}{Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS},\\
|
||||||
|
A. Scemama*, Y. Garniron, M. Caffarel and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 1395.
|
||||||
|
|
||||||
|
\item
|
||||||
|
(Book chapter) \href{http://www.irsamc.ups-tlse.fr/loos/pub/58.pdf}{Recurrence relations for four-electron integrals over Gaussian basis functions},\\
|
||||||
|
G. M. J. Barca and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{Adv. Quantum Chem.}, \textbf{2018}, \textit{76}, 147.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/57.pdf}{Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},\\
|
||||||
|
Y. Garniron, A. Scemama*, \textbf{P. F. Loos} and M. Caffarel,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 034101.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/56.pdf}{Three-electron and four-electron integrals involving Gaussian geminals: fundamental integrals, upper bounds and recurrence relations},\\
|
||||||
|
G. M. J. Barca and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 024103.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/55.pdf}{Iterative stochastic subspace self-consistent field method},\\
|
||||||
|
\textbf{P. F. Loos*}, J.-L. Rivail and X. Assfeld,\\
|
||||||
|
\textit{J. Mod. Mol.}, \textbf{2017}, \textit{23}, 173.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/54.pdf}{Exchange functionals based on finite uniform electron gases},\\
|
||||||
|
\textbf{P. F. Loos*},
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 114108.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/53.pdf}{Excited-state Wigner crystals},\\
|
||||||
|
F. J. M. Rogers and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 044114.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/52.pdf}{Molecular electronic structure in one-dimensional Coulomb systems},\\
|
||||||
|
C. J. Ball*, \textbf{P. F. Loos} and P. M. W. Gill,\\
|
||||||
|
\textit{Phys. Chem. Chem. Phys.}, \textbf{2017}, \textit{19}, 3987.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/51.pdf}{Symmetry-broken local-density approximation for one-dimensional systems},\\
|
||||||
|
F. J. M. Rogers, C. J. Ball and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{Phys. Rev. B}, \textbf{2016}, \textit{93}, 235114.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/50.pdf}{The uniform electron gas},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill,\\
|
||||||
|
\textit{WIREs Comput. Mol. Sci.}, \textbf{2016}, \textit{6}, 410.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/49.pdf}{Many-electron integrals over Gaussian basis functions. I. Recurrence relations for three-electron integrals},\\
|
||||||
|
G. M. J. Barca, \textbf{P. F. Loos*} and P. M. W. Gill*,\\
|
||||||
|
\textit{J. Chem. Theory Comput.}, \textbf{2016}, \textit{12}, 1735.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/48.pdf}{Natural occupation numbers in two-electron quantum rings},\\
|
||||||
|
V. Tognetti and \textbf{P. F. Loos},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2016}, \textit{144}, 054108.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/47.pdf}{Three-electron coalescence points in two and three dimensions},\\
|
||||||
|
\textbf{P. F. Loos*}, N. J. Bloomfield and P. M. W. Gill,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 181101.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/46.pdf}{Uniform electron gases: III. Low-density gases on three-dimensional spheres},\\
|
||||||
|
D. Agboola, A. L. Knol, P. M. W. Gill* and \textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 084114.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/45.pdf}{Nodal surfaces and interdimensional degeneracies},\\
|
||||||
|
\textbf{P. F. Loos*} and D. Bressanini,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{142}, 214112.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/44.pdf}{Chemistry in one dimension},\\
|
||||||
|
\textbf{P. F. Loos*}, C. J. Ball and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Chem. Chem. Phys.}, \textbf{2015}, \textit{17}, 3196.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/43.pdf}{Basis functions for electronic structure calculations on spheres},\\
|
||||||
|
P. M. W. Gill*, \textbf{P. F. Loos*} and D. Agboola,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2014}, \textit{141}, 244102.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/42.pdf}{Generalized local-density approximation and one-dimensional uniform electron gases},\\
|
||||||
|
\textbf{P. F. Loos*},
|
||||||
|
\textit{Phys. Rev. A}, \textbf{2014}, \textit{89}, 052523.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/41.pdf}{Uniform electron gases. II. The generalized local density approximation in one dimension},\\
|
||||||
|
\textbf{P. F. Loos*}, C. J. Ball and P. M. W. Gill*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2014}, \textit{140}, 18A524.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/40.pdf}{Exact wave functions for concentric two-electron systems},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill,\\
|
||||||
|
\textit{Phys. Lett. A}, \textbf{2014}, \textit{378}, 329.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/39.pdf}{Distribution of $r_{12} \cdot p_{12}$ in quantum systems},\\
|
||||||
|
Y. A. Bernard. \textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Mol. Phys.}, \textbf{2013}, \textit{111}, 2414.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/38.pdf}{Uniform electron gases. I. Electrons on a ring},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 164124.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/37.pdf}{High-density correlation energy expansion of the one-dimensional uniform electron gas},\\
|
||||||
|
\textbf{P. F. Loos*},\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 064108.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/36.pdf}{Understanding excitons using spherical geometry},\\
|
||||||
|
\textbf{P. F. Loos*,}\\
|
||||||
|
\textit{Phys. Lett. A}, \textbf{2012}, \textit{376}, 1997.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/35.pdf}{Harmonically trapped jellium model},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Mol. Phys.}, \textbf{2012}, \textit{108}, 083002.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/34.pdf}{Exact wave functions of two-electron quantum rings},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. Lett.}, \textbf{2012}, \textit{110}, 2337.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/33.pdf}{Leading-order behavior of the correlation energy in the uniform electron gas},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Int. J. Quantum Chem.}, \textbf{2012}, \textit{112}, 1712.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/32.pdf}{Uniform electron gases},\\
|
||||||
|
P. M. W. Gill* and \textbf{P. F. Loos},\\
|
||||||
|
\textit{Theor. Chem. Acc.}, \textbf{2012}, \textit{131}, 1069.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/31.pdf}{Thinking outside the box: the uniform electron gas on a hypersphere},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2011}, \textit{135}, 214111.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/30.pdf}{Correlation energy of anisotropic quantum dots},\\
|
||||||
|
Y. Zhao*, \textbf{P. F. Loos*} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. A}, \textbf{2011}, \textit{84}, 032513.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/29.pdf}{Correlation energy of the spin-polarized uniform electron gas at high density},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill,\\
|
||||||
|
\textit{Phys. Rev. B}, \textbf{2011}, \textit{84}, 033103.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/28.pdf}{Exact energy of the spin-polarized two-dimensional electron gas at high density},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. B}, \textbf{2011}, \textit{83}, 233102.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/27.pdf}{A tale of two electrons: correlation at high density},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Chem. Phys. Lett.}, \textbf{2010}, \textit{500}, 1.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/26.pdf}{Invariance of the correlation energy at high density and large dimension for two-electron systems},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. Lett.}, \textbf{2010}, \textit{105}, 113001.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/25.pdf}{Excited states of spherium},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Mol. Phys.}, \textbf{2010}, \textit{108}, 2527.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/24.pdf}{Correlation energy of two electrons in a ball},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2010}, \textit{132}, 234111.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/23.pdf}{Ground state of two electrons on concentric spheres},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 052510.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/22.pdf}{Electronic absorption spectroscopy of Ru(II) polypyridyl DNA intercalators: a theoretical study},\\
|
||||||
|
D. Ambrosek, \textbf{P. F. Loos}, X. Assfeld and C. Daniel*,
|
||||||
|
\textit{J. Inorg. Biochem.}, \textbf{2010}, \textit{104}, 893.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/21.pdf}{Hooke's law correlation in two-electron systems},\\
|
||||||
|
\textbf{P. F. Loos*},\\
|
||||||
|
\textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 032510.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/20.pdf}{Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds},\\
|
||||||
|
E. Dumont*, \textbf{P. F. Loos}, A. D. Laurent and X. Assfeld,\\
|
||||||
|
\textit{Int. J. Quantum Chem.}, \textbf{2010}, \textit{110}, 513.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/19.pdf}{Correlation energy of two electrons in the high-density limit},\\
|
||||||
|
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
|
||||||
|
\textit{J. Chem. Phys.}, \textbf{2009}, \textit{131}, 241101.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/18.pdf}{Two electrons on a hypersphere: a quasi-exactly solvable model},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. Lett.}, \textbf{2009}, \textit{103}, 123008.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/17.pdf}{Ground state of two electrons on a sphere},\\
|
||||||
|
\textbf{P. F. Loos} and P. M. W. Gill*,\\
|
||||||
|
\textit{Phys. Rev. A}, \textbf{2009}, \textit{79}, 062517.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/16.pdf}{Important effects of neighboring nucleotides on electron induced DNA single-strand breaks},\\
|
||||||
|
\textbf{P. F. Loos*}, E. Dumont, A. D. Laurent and X. Assfeld,\\
|
||||||
|
\textit{Chem. Phys. Lett.}, \textbf{2009}, \textit{475}, 120.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/15.pdf}{Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein},\\
|
||||||
|
E. Dumont*, A. D. Laurent, \textbf{P. F. Loos} and X. Assfeld,\\
|
||||||
|
\textit{J. Chem. Theor. Comput.}, \textbf{2009}, \textit{5}, 1700.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/14.pdf}{Factors governing electron capture by small disulfide loops in two-cysteines peptides},\\
|
||||||
|
E. Dumont*, \textbf{P. F. Loos} and X. Assfeld,\\
|
||||||
|
\textit{J. Phys. Chem. B}, \textbf{2008}, \textit{112}, 13661.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/13.pdf}{Huge disulfide-linkage's reducible potential variation induced by $\alpha$-helix orientation},\\
|
||||||
|
E. Dumont*, \textbf{P. F. Loos}, A. D. Laurent and X. Assfeld,\\
|
||||||
|
\textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 1171.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/12.pdf}{Effect of ring strain on disulfide electron attachment},\\
|
||||||
|
E. Dumont*, \textbf{P. F. Loos} and X. Assfeld,\\
|
||||||
|
\textit{Chem. Phys. Lett.}, \textbf{2008}, \textit{458}, 276.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/11.pdf}{Theoretical investigation of the geometries and UV/Vis spectra of Poly(L-glutamic acid) featuring photochromic azobenzene side chain},\\
|
||||||
|
\textbf{P. F. Loos*}, J. Preat, A. Laurent, C. Michaux, D. Jacquemin, E. A. Perpete and X. Assfeld,\\
|
||||||
|
\textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 637.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/10.pdf}{On the frontier bond location in the QM/MM description of the peptides and proteins},\\
|
||||||
|
\textbf{P. F. Loos*} and X. Assfeld,\\
|
||||||
|
\textit{AIP Conf. Proc.}, \textbf{2007}, \textit{963}, 308.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/9.pdf}{Removing the extra frontier parameters in QM/MM methods: a tentative with the Local Self-Consistent Field approach},\\
|
||||||
|
\textbf{P. F. Loos*}, A. Fornili, M. Sironi and X. Assfeld*,\\
|
||||||
|
\textit{Comput. Lett.} \textbf{2007}, \textit{4}, 473.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/8.pdf}{Core-ionized and core-excited states of macromolecules},\\
|
||||||
|
\textbf{P. F. Loos} and X. Assfeld*,\\
|
||||||
|
\textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 2343.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/7.pdf}{A TD-DFT investigation of UV spectra of pyrano\"idic dyes: a NCM vs. PCM comparison},\\
|
||||||
|
J. Preat*, \textbf{P. F. Loos}, X. Assfeld, D. Jacquemin and E. A. Perpete,\\
|
||||||
|
\textit{J. Mol. Struct. (THEOCHEM)}, \textbf{2007}, \textit{808}, 85.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/6.pdf}{Self-consistent strictly localized orbitals},\\
|
||||||
|
\textbf{P. F. Loos} and X. Assfeld*,\\
|
||||||
|
\textit{J. Chem. Theor. Comput.}, \textbf{2007}, \textit{3}, 1047.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/5.pdf}{Intramolecular interactions and cis peptidic bonds},\\
|
||||||
|
\textbf{P. F. Loos}, X. Assfeld and J.-L. Rivail*,\\
|
||||||
|
\textit{Theor. Chem. Acc.}, \textbf{2007}, \textit{118}, 165.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/4.pdf}{DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models},\\
|
||||||
|
J. Preat*, \textbf{P. F. Loos}, X. Assfeld, D. Jacquemin and E. A. Perpete,\\
|
||||||
|
\textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 574.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/3.pdf}{Electronic factors favouring the cis conformation in proline peptidic bonds},\\
|
||||||
|
J.-L. Rivail*, A. Bouchy and \textbf{P. F. Loos},\\
|
||||||
|
\textit{J. Argentine Chem. Soc.}, \textbf{2006}, \textit{94}, 19.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/2.pdf}{Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods},\\
|
||||||
|
A. Fornili, \textbf{P. F. Loos}, M. Sironi*, and X. Assfeld* ,\\
|
||||||
|
\textit{Chem. Phys. Lett.}, \textbf{2006}, \textit{427}, 236.
|
||||||
|
|
||||||
|
\item
|
||||||
|
\href{http://www.irsamc.ups-tlse.fr/loos/pub/1.pdf}{Solvent effects on the asymmetric Diels-Alder reaction between cyclopentadiene and (-)-menthyl acrylate revisited with the three-layer hybrid local self-consistent field/molecular mechanics/self-consistent reaction field method},\\
|
||||||
|
Y. Moreau, \textbf{P. F. Loos} and X. Assfeld*,\\
|
||||||
|
\textit{Theor. Chem. Acc.}, \textbf{2004}, \textit{112}, 228.
|
||||||
|
|
||||||
|
|
||||||
|
\end{etaremune}
|
||||||
|
|
||||||
|
\end{document}
|
||||||
169
cv_Loos.tex
Normal file
169
cv_Loos.tex
Normal file
@ -0,0 +1,169 @@
|
|||||||
|
\documentclass[a4paper,11pt,noindent]{article}
|
||||||
|
|
||||||
|
\usepackage{mathpazo,libertine}
|
||||||
|
\usepackage[version=4]{mhchem}
|
||||||
|
\usepackage{amsmath,amsfonts,amssymb,bm,microtype,graphicx,wrapfig,geometry,physics,eurosym,multirow,xcolor,fullpage}
|
||||||
|
\usepackage{hyperref}
|
||||||
|
\hypersetup{
|
||||||
|
colorlinks=true,
|
||||||
|
linkcolor=cyan,
|
||||||
|
filecolor=magenta,
|
||||||
|
urlcolor=blue,
|
||||||
|
citecolor=purple
|
||||||
|
}
|
||||||
|
|
||||||
|
\definecolor{darkgreen}{RGB}{0, 180, 0}
|
||||||
|
\definecolor{fooblue}{RGB}{0,153,255}
|
||||||
|
\definecolor{fooyellow}{RGB}{234,187,0}
|
||||||
|
\definecolor{lavender}{rgb}{0.71, 0.49, 0.86}
|
||||||
|
\definecolor{inchworm}{rgb}{0.7, 0.93, 0.36}
|
||||||
|
\newcommand{\violet}[1]{\textcolor{lavender}{#1}}
|
||||||
|
\newcommand{\purple}[1]{\textcolor{purple}{#1}}
|
||||||
|
\newcommand{\blue}[1]{\textcolor{blue}{#1}}
|
||||||
|
\newcommand{\green}[1]{\textcolor{darkgreen}{#1}}
|
||||||
|
\newcommand{\yellow}[1]{\textcolor{fooyellow}{#1}}
|
||||||
|
\newcommand{\red}[1]{\textcolor{red}{#1}}
|
||||||
|
\newcommand{\highlight}[1]{\textcolor{fooblue}{\textbf{#1}}}
|
||||||
|
\newcommand{\alert}[1]{\textcolor{red}{#1}}
|
||||||
|
|
||||||
|
\title{Curriculum Vit\ae}
|
||||||
|
\date{}
|
||||||
|
|
||||||
|
\begin{document}
|
||||||
|
|
||||||
|
\maketitle
|
||||||
|
|
||||||
|
\subsection*{Personal information}
|
||||||
|
\begin{tabular}{ll}
|
||||||
|
Name: & \href{http://www.irsamc.ups-tlse.fr/loos}{LOOS, Pierre-Fran\c{c}ois} \\
|
||||||
|
Researcher ID: & \href{http://www.researcherid.com/rid/A-1103-2010}{A-1103-2010} \\
|
||||||
|
ORCID: & \href{https://orcid.org/0000-0003-0598-7425}{0000-0003-0598-7425} \\
|
||||||
|
Date of birth: & 2nd Jan 1982\\
|
||||||
|
Nationality: & French/Australian \\
|
||||||
|
Home URL: & \href{http://www.irsamc.ups-tlse.fr/loos}{http://www.irsamc.ups-tlse.fr/loos} \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Education}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2018 & \textbf{Habilitation}, \href{http://www.irsamc.ups-tlse.fr/loos/pub/HDR.pdf}{\textit{``Functionals, Integrals, Spheres and Cusps''}},
|
||||||
|
Universit\'e Paul Sabatier (Toulouse, France). \\
|
||||||
|
2005-2008 & \textbf{PhD in Theoretical and Computational Chemistry}, Universit\'e de Lorraine (Nancy, France). Supervisor: Prof.~Xavier Assfeld. \\
|
||||||
|
2005 & \textbf{Magist\`ere Molecular Engineering}, Universit\'e de Lorraine (Nancy, France). \\
|
||||||
|
2005 & \textbf{MSc in Theoretical Chemistry}, Universit\'e de Lorraine (Nancy, France). \\
|
||||||
|
2005 & \textbf{MSc in Physical Chemistry}, Universit\'e de Lorraine (Nancy, France). \\
|
||||||
|
2004 & \textbf{BSc in Physical Chemistry}, Universit\'e de Lorraine (Nancy, France). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Current positions}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2017- & \textbf{CNRS Researcher} (independent \& permanent),
|
||||||
|
\href{http://www.lcpq.ups-tlse.fr}{Laboratoire de Chimie et Physique Quantiques (LCPQ)}, UMR5626, Universit\'e Paul Sabatier (Toulouse, France). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Previous positions}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2016-2017 & \textbf{Senior Lecturer},
|
||||||
|
group leader of the Mathematical and Theoretical Chemistry group, Research School of Chemistry, Australian National University (Canberra, Australia). \\
|
||||||
|
2013-2015 & \textbf{Australian Research Council Research Fellow},
|
||||||
|
Discovery Early Career Researcher Award from the Australian Research Council,
|
||||||
|
group leader of the Mathematical and Theoretical Chemistry Group, Research School of Chemistry, Australian National University (Canberra, Australia). \\
|
||||||
|
2008-2012 & \textbf{Postdoctoral Fellow in Theoretical Quantum Chemistry},
|
||||||
|
Theoretical Quantum Chemistry Group, Research School of Chemistry, Australian National University (Canberra, Australia). Supervisor: Prof.~Peter Gill. \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Fellowships \& Grants}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2020-2024 & \textbf{ERC Consolidator grant H2020} (PI),
|
||||||
|
\textit{``PT-symmetric electronic structure theory''}, (\euro1,895,636), Project No.~863481. \\
|
||||||
|
2020-2022 & \textbf{80$\vert$PRIME research grant: Mission pour les Initiatives Transverses et Interdisciplinaires (MITI)} (PI),
|
||||||
|
\textit{``Multireference quasiparticles for strong correlation''}, (\euro XX,000), XXX. \\
|
||||||
|
2020-2022 & \textbf{Research grant from NEXT/NanoX} (co-PI with Pina Romaniello),
|
||||||
|
\textit{``Multireference quasiparticles for strong correlation''}, (\euro88,000), ANR-17-EURE-0009. \\
|
||||||
|
2019-2021 & \textbf{Travel grant: Projet International de Coop\'eration Scientifique (PICS)},
|
||||||
|
\textit{``Multideterminant quantum Monte Carlo methods for strongly correlated materials''}, (\euro21,000), PICS08310. \\
|
||||||
|
2017 & \textbf{Visiting Fellow}, Australian National University (Canberra, Australia). \\
|
||||||
|
Jun.~2016 & \textbf{Visiting Erskine Fellow}, University of Canterbury (Christchurch, New Zealand). \\
|
||||||
|
Feb.~2016 & \textbf{Visiting Fellow}, Universit\'e Paul Sabatier (Toulouse, France). \\
|
||||||
|
2014-2016 & \textbf{Discovery Project grant from the Australian Research Council} (Co-PI with Peter Gill),
|
||||||
|
\textit{``Accurate chemistry via resolution and quadrature''} (\$330,000), DP140104071. \\
|
||||||
|
2013-2016 & \textbf{Discovery Early Career Researcher Award from the Australian Research Council} (PI),
|
||||||
|
\textit{``Thinking outside the box: spherical geometry in chemistry and physics''} (\$365,219), DE130101441. \\
|
||||||
|
2008 & \textbf{Prize of the best PhD thesis in Molecular Physics and Chemistry}, Universit\'e de Lorraine (Nancy, France). \\
|
||||||
|
2005-2008 & \textbf{French government scholarship} (MRT scholarship) for PhD studies. \\
|
||||||
|
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Supervision role}
|
||||||
|
\begin{tabular}{p{3cm}p{13cm}}
|
||||||
|
Postdocs (4) & Davids Agboola (2014), Marat Sibaev (2015-2016) and Stefano di Sabatino (2019-2020)\\
|
||||||
|
PhDs (6) & Caleb Ball (2014-2017) and Giuseppe Barca (2014-2017) co-supervised with Peter Gill, Mickael V\'eril (due 2021), Clotilde Marut (due 2022), Enzo Monino (due 2023), and Roberto Orlando (due 2023). \\
|
||||||
|
MSc (9) & Anneke Knol (2015), Sam Backwell (2015), Fergus Rogers (2016),
|
||||||
|
Sebastian Sitkiewicz (2017), Mickael V\'eril (2018), Thomas Colle (2019), Antoine Marie (2020), Pierre Racine (2020), and Roberto Orlando (2020). \\
|
||||||
|
Visiting fellows & Denis Jacquemin (2016), Universit\'e de Nantes (hosted as the Craig lecturer at the Research School of Chemistry of the Australian National University),
|
||||||
|
Xavier Assfeld (2016) Universi\'e de Lorraine, Joshua Hollett (2018) University of Winnipeg and Peter Gill (2019) University of Sydney. \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Teaching activities}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2018-2021 & \textbf{Lecturer}, TCCM winter school LTTC in Theoretical Chemistry, (Luchon, France): theory and implementation of DFT-based methods (6 hours/year). \\
|
||||||
|
2014 \& 2016 & \textbf{Lecturer}, Quantum and Computational Chemistry Student Conference (Cass, New Zealand): quantum Monte Carlo and DFT methods (4 hours/year). \\
|
||||||
|
2017-2020 & \textbf{Teaching assistant}, Engineering school ISAE-SUPAERO (Toulouse, France): numerical analysis and parallel computing labs (15 hours/year). \\
|
||||||
|
2016 & \textbf{Senior Lecturer}, Research School of Chemistry (Australian National University):
|
||||||
|
designed an entire third-year course in Computational Chemistry and Molecular Modelling (CHEM3208, course convenor)
|
||||||
|
and Honours (fourth-year) course in Theoretical and Computational Chemistry. \\
|
||||||
|
2006-2008 & \textbf{Teaching assistant} in Mathematics (64 hours/year during 2 years), Department of Pharmacy, Universit\'e de Lorraine (Nancy, France):
|
||||||
|
first-year tutorials in Mathematics. \\
|
||||||
|
2005 & \textbf{Teaching assistant} in Physical Chemistry (64 hours), Department of Chemistry, Universit\'e de Lorraine (Nancy, France):
|
||||||
|
first-year physical chemistry labs. \\
|
||||||
|
2004 & \textbf{Teaching assistant} in Quantum/Computational Chemistry (16 hours), Department of Chemistry, Universit\'e de Lorraine (Nancy, France):
|
||||||
|
fourth-year computational chemistry labs. \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
|
||||||
|
\subsection*{Community service et administrative activities}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2018--2023 & Foundation member of the ``Groupement de Recherche'' \href{https://wiki.lct.jussieu.fr/gdrnbody/index.php/Accueil}{NBODY} (previously \href{http://gdrcorelec.ups-tlse.fr/index.php?title=Accueil}{CORREL}). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Organisation of scientific meetings}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2021 & Quantum Chemistry/Nuclear Physics workshop (on line). \\
|
||||||
|
2020 & Member of the organisation committee of the International summer School in electronic structure Theory: electron correlation in Physics and Chemistry \href{https://quantique.u-strasbg.fr/ISTPC/doku.php}{(ISTPC)} (Aussois, France). \\
|
||||||
|
2019 & 3rd edition of the \href{https://wiki.lct.jussieu.fr/gdrnbody/index.php/MINI-SCHOOL_2019}{Mini-school on mathematics for theoretical chemistry and physics} (Paris, France).\\
|
||||||
|
2018 & Annual meeting of the \href{http://www.irsamc.ups-tlse.fr/?lang=en}{IRSAMC} institute (Toulouse, France). \\
|
||||||
|
2016 & 2nd Quantum and Computational Chemistry Student Conference (Cass, New Zealand). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Institutional responsibilities}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2013-2017 & Undergraduate Student Advisor, Australian National University (Canberra, Australia). \\
|
||||||
|
2018- & Alternate leader of the theoretical method development group \href{http://www.lcpq.ups-tlse.fr/spip.php?rubrique33}{(GMO)} at the LCPQ (Toulouse, France). \\
|
||||||
|
2019- & Seminar coordinator of the LCPQ.\\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Reviewing activities}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2018-2020 & Doctoral Thesis Examiner:
|
||||||
|
Dr David Gregoire (Universit\'e de Marseille, France),
|
||||||
|
Dr Killian Deur (Universit\'e de Strasbourg, France),
|
||||||
|
Dr Mauricio Rodriguez Mayorga (Universitat de Girona, Spain),
|
||||||
|
Dr Sara Giarrusso (Vrije Universiteit, Amsterdam, The Netherlands).
|
||||||
|
Dr Alberto Fabrizio (EPFL Lausanne, Switzerland), \\
|
||||||
|
2013- & Reviewer, Australian Research Council (Australia), National Science Center (Poland). \\
|
||||||
|
2016-2017 & Interview panel member for postdoctoral positions at the Australian National University. \\
|
||||||
|
2008- & Reviewer ($\sim 20$ papers/year) for various scientific journals (JCP, JCTC, JPC, PCCP, PRL, PRB, PRA, etc). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Memberships of scientific societies}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
2017- & Member, World Association of Theoretical Oriented Chemists (WATOC). \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
\subsection*{Major collaborations}
|
||||||
|
\begin{tabular}{p{2cm}p{14cm}}
|
||||||
|
International & Hugh Burton (Oxford, UK), Alex Thom (Cambridge, UK), Peter Gill (University of Sydney, Australia), Anouar Benali (Argonne, US). \\
|
||||||
|
National & Anthony Scemama \& Michel Caffarel (Universit\'e de Toulouse), Denis Jacquemin (Universit\'e de Nantes), Bruno Senjean (Universit\'e de Montpellier), Emmanuel Fromager (Universit\'e de Strasbourg), Julien Toulouse \& Emmanuel Giner (Sorbonne Universit\'e), Pina Romaniello \& Arjan Berger (Universit\'e de Toulouse), Xavier Blase \& Ivan Duchemin (Institut N\'eel, Grenoble) \\
|
||||||
|
\end{tabular}
|
||||||
|
|
||||||
|
|
||||||
|
\end{document}
|
||||||
Loading…
Reference in New Issue
Block a user