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The Journal of Chemical Physics|June 10, 2017
Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolationAnant Dixit, Julien Claudot, Sébastien Lebègue, et al.Physical Chemistry Chemical Physics : PCCP|September 23, 2020
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomoleculesMinho Kim, Tim Gould, Dario Rocca, et al.Journal of Chemical Theory and Computation|October 12, 2017
Improving the Efficiency of Beyond-RPA Methods within the Dielectric Matrix Formulation: Algorithms and Applications to the A24 and S22 Test SetsAnant Dixit, Julien Claudot, Sébastien Lebègue, et al.Journal of Chemical Theory and Computation|April 12, 2023
Solving the Schrödinger Equation in the Configuration Space with Generative Machine LearningBasile Herzog, Bastien Casier, Sébastien Lebègue, et al.Journal of Chemical Theory and Computation|March 18, 2016
Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange EffectsBastien Mussard, Dario Rocca, Georg Jansen, et al.The Journal of Chemical Physics|January 28, 2012
A block variational procedure for the iterative diagonalization of non-Hermitian random-phase approximation matricesDario Rocca, Zhaojun Bai, Ren-Cang Li, et al.Journal of Chemical Theory and Computation|July 29, 2021
Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW CalculationsAlekos Segalina, Sébastien Lebègue, Dario Rocca, et al.Journal of Chemical Theory and Computation|October 16, 2019
Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation TheoryBilal Chehaibou, Michael Badawi, Tomáš Bučko, et al.Angewandte Chemie (International Ed. in English)|December 6, 2023
Reference-Quality Free Energy Barriers in Catalysis from Machine Learning Thermodynamic Perturbation TheoryJérôme Rey, Céline Chizallet, Dario Rocca, et al.Physical Chemistry Chemical Physics : PCCP|November 16, 2021
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in ionic liquidsMinho Kim, Tim Gould, Ekaterina I Izgorodina, et al.Pageof 5