diff --git a/Presentations/Presentations_Loos.tex b/Presentations/Presentations_Loos.tex index c137f26..179f86e 100644 --- a/Presentations/Presentations_Loos.tex +++ b/Presentations/Presentations_Loos.tex @@ -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. diff --git a/Publications/Publications_Loos.tex b/Publications/Publications_Loos.tex index 77352ee..7ee26e7 100644 --- a/Publications/Publications_Loos.tex +++ b/Publications/Publications_Loos.tex @@ -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},\\