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Pierre-Francois Loos 2024-09-04 23:09:48 +02:00
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30
Presentations/Presentations_Loos.tex
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@ -39,6 +39,36 @@
\begin{etaremune}
\item (Invited talk) Cumulant Green’s function methods for molecules,\\
Faraday Discussion on Correlated Electronic Structure, London, UK (July 2024).
\item (Invited talk) New Electronic Structure Methodologies for Electronic Excited States,\\
ESCMQC 2024, Copenhagen, Denmark (June 2024).
\item (Departmental seminar) New Electronic Structure Methodologies for Electronic Excited States,\\
Department of Chemistry, University of Fribourg, Fribourg, Switzerland (April 2024).
\item (Invited talk) New Electronic Structure Methodologies for Electronic Excited States,\\
Prospective Meeting on Excited States, Rennes, France (March 2024).
\item (Departmental seminar) CIPSI: selected configuration interaction methods for ground and excited states,\\
IQTC meeting 2023, Barcelona, Spain (September 2023).
\item (Invited talk) A similarity renormalization group (SRG) approach to GW,\\
3rd Quantum International Frontiers 2023, Lodz, Poland (June 2023).
\item (Invited talk) CIPSI: selected configuration interaction methods for ground and excited states,\\
TREX workshop on electronic structure methods for strong correlation, Lodz, Poland (April 2023).
\item (Invited talk) A similarity renormalization group (SRG) approach to GW,\\
62nd Sanibel symposium 2023, St Augustine Beach, Florida, US (February 2023).
\item (Invited talk) Many-body perturbation theory à la coupled cluster,\\
NHISS 2022, Jeju Island, South Korea (December 2022).
\item (Invited talk) Hierarchy configuration interaction and state-specific approaches for excited states,\\
MES 2022, Monastir, Tunisia (September 2022).
\item (Invited communication) July 2022, State-specific coupled cluster for excited states,\\
WATOC 2022, Vancouver, Canada.

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Publications/Publications_Loos.tex
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@ -38,44 +38,69 @@
\begin{etaremune}
\item
\href{https://arxiv.org/pdf/2403.19597.pdf}{Reference energies for double excitations: improvement \& extension},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/147.pdf}{Reference CC3 excitation energies for organic chromophores: benchmarking TD-DFT, BSE/GW and wave function methods},\\
I. Knysh, F. Lipparini, I. Duchemin, X. Blase, \textbf{P. F. Loos*}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, (in press).
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/146.pdf}{Selected configuration interaction for resonances},\\
Y. Damour, A. Scemama, F. Kossoski, and \textbf{P. F. Loos*},\\
\textit{J. Phys. Chem. Lett.}, \textbf{2024}, \textit{15}, 8296.
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/145.pdf}{Improved modularity and new features in ipie: towards even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures},\\
T. Jiang, M. K. A. Baumgarten, P. F. Loos, A. Mahajan, A. Scemama, J. Zhang, F. D. Malone, and J. Lee*,\\
\textit{J. Chem. Phys.}, \textbf{2024}, (submitted).
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/144.pdf}{Anomalous propagators and the particle-particle channel: Hedin’s equations},\\
A. Marie*, P. Romaniello, and \textbf{P. F. Loos*},\\
\textit{Phys. Rev. B}, \textbf{2024}, (submitted).
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/143.pdf}{Compactification of determinant expansions via transcorrelation},\\
A. Ammar*, A. Scemama, \textbf{P. F. Loos*}, and E. Giner*,\\
\textit{J. Chem. Phys.}, \textbf{2024}, \textit{161}, 084104.
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/142.pdf}{Reference energies for double excitations: improvement \& extension},\\
F. Kossoski*, M. Boggio-Pasqua*, \textbf{P. F. Loos*}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.} (submitted).
\textit{J. Chem. Theory Comput.}, \textbf{2024}, \textit{20}, 5655.
\item
\href{https://arxiv.org/pdf/2402.16414.pdf}{Cumulant Green's function methods for molecules},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/141.pdf}{Cumulant Green's function methods for molecules},\\
\textbf{P. F. Loos*}, A. Marie, and A. Ammar,\\
\textit{Faraday Discuss.} (in press).
\textit{Faraday Discuss.}, (in press).
\item
\href{https://arxiv.org/pdf/2402.13877.pdf}{Reference energies for valence ionizations and satellite transitions},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/140.pdf}{Reference energies for valence ionizations and satellite transitions},\\
A. Marie* and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.} (in press).
\textit{J. Chem. Theory Comput.}, \textbf{2024}, \textit{20}, 4751.
\item
\href{https://arxiv.org/pdf/2402.13111.pdf}{Go green: selected configuration interaction as a more sustainable alternative for high accuracy},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/139.pdf}{Go green: selected configuration interaction as a more sustainable alternative for high accuracy},\\
\textbf{P. F. Loos*}, Y. Damour, A. Ammar, M. Caffarel, F. Kossoski, and A. Scemama,\\
\textit{J. Phys. Chem. A} (submitted).
\textit{arXiv}, \textbf{2024}, 2402.13111 [physics.chem-p].
\item
\href{https://arxiv.org/pdf/2401.13809.pdf}{A mountaineering strategy to excited states: accurate vertical transition energies and benchmarks for substituted benzenes},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/138.pdf}{A mountaineering strategy to excited states: accurate vertical transition energies and benchmarks for substituted benzenes},\\
\textbf{P. F. Loos} and D. Jacquemin*,\\
\textit{J. Comput. Chem.} (in press).
\textit{J. Comput. Chem.}, \textbf{2024}, \textit{45}, 1791.
\item
\href{https://arxiv.org/pdf/2401.05048.pdf}{State-specific coupled-cluster methods for excited states},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/137.pdf}{State-specific coupled-cluster methods for excited states},\\
Y. Damour*, A. Scemama, D. Jacquemin, F. Kossoski*, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.} (in press).
\textit{J. Chem. Theory Comput.}, \textbf{2024}, \textit{20}, 4129.
\item
\href{https://arxiv.org/pdf/2401.04685.pdf}{Neutral electronic excitations and derivative discontinuities: An extended N-centered ensemble density functional theory perspective},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/136.pdf}{Neutral electronic excitations and derivative discontinuities: An extended N-centered ensemble density functional theory perspective},\\
F. Cernatic, \textbf{P. F. Loos}, B. Senjean, and E. Fromager*,\\
\textit{Phys. Rev. B} (submitted).
\textit{Phys. Rev. B}, \textbf{2024}, \textit{109}, 235113.
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/135.pdf}{Can $GW$ handle multireference systems?},\\
A. Ammar, A. Marie, M. Rodríguez-Mayorga, H. G. A. Burton, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, 114101 (2024).
\textit{J. Chem. Phys.}, \textbf{2024}, \textit{160}, 114101.
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/134.pdf}{Rationale for the extrapolation procedure in selected configuration interaction},\\
@ -83,9 +108,9 @@
\textit{J. Chem. Phys.}, \textbf{2024}, \textit{160}, 104102.
\item
\href{https://arxiv.org/pdf/2311.05351.pdf}{The $GW$ approximation: a quantum chemistry perspective},\\
\href{https://pfloos.github.io/WEB_LOOS/pub/133.pdf}{The $GW$ approximation: a quantum chemistry perspective},\\
A. Marie, A. Ammar, and \textbf{P. F. Loos*},\\
\textit{Adv. Quantum Chem.} (in press).
\textit{Adv. Quantum Chem.}, \textbf{2024}, \textit{90}, 157.
\item
\href{https://pfloos.github.io/WEB_LOOS/pub/132.pdf}{Heptazine, cyclazine, and related compounds: chemically-accurate estimates of the inverted singlet-triplet gap},\\