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Molecules (Basel, Switzerland)|November 11, 2020
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and EvaluationFrederick Stein, Jürg Hutter, Vladimir V RybkinThe Journal of Chemical Physics|February 20, 2022
Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method accelerationFrederick Stein, Jürg HutterThe Journal of Chemical Physics|January 12, 2024
Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzeneFrederick Stein, Jürg HutterNpj Computational Materials|December 23, 2024
A general framework for active space embedding methods with applications in quantum computingStefano Battaglia, Max Rossmannek, Vladimir V Rybkin, et al.The Journal of Physical Chemistry. A|July 8, 2017
Franck-Condon Theory of Quantum MechanochemistryVladimir V RybkinJournal of Chemical Theory and Computation|May 28, 2021
Formulation and Implementation of Density Functional Embedding Theory Using Products of Basis FunctionsVladimir V RybkinChemistry (Weinheim an Der Bergstrasse, Germany)|October 24, 2019
Sampling Potential Energy Surfaces in the Condensed Phase with Many-Body Electronic Structure MethodsVladimir V RybkinThe Journal of Physical Chemistry. B|November 10, 2020
Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated ElectronVladimir V RybkinNature Communications|October 2, 2023
Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulationsZezhu Zeng, Felix Wodaczek, Keyang Liu, et al.The Journal of Physical Chemistry Letters|March 16, 2017
Nuclear Quantum Effects on Aqueous Electron Attachment and Redox PropertiesVladimir V Rybkin, Joost VandeVondelePageof 13