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The Journal of Physical Chemistry Letters|April 23, 2026
Neural Quantum States Based on Selected ConfigurationsMarco Julian Solanki, Lexin Ding, Markus ReiherThe Journal of Chemical Physics|June 4, 2020
Nuclear-electronic all-particle density matrix renormalization groupAndrea Muolo, Alberto Baiardi, Robin Feldmann, et al.Journal of Chemical Theory and Computation|August 4, 2022
Chemoton 2.0: Autonomous Exploration of Chemical Reaction NetworksJan P Unsleber, Stephanie A Grimmel, Markus ReiherJournal of Chemical Theory and Computation|January 3, 2022
Quantum Proton Effects from Density Matrix Renormalization Group CalculationsRobin Feldmann, Andrea Muolo, Alberto Baiardi, et al.Journal of Chemical Theory and Computation|January 21, 2016
Accelerating Wave Function Convergence in Interactive Quantum Chemical Reactivity StudiesAdrian H Mühlbach, Alain C Vaucher, Markus ReiherThe Journal of Physical Chemistry Letters|August 22, 2015
Entanglement Measures for Single- and Multireference Correlation EffectsKatharina Boguslawski, Pawel̷ Tecmer, Örs Legeza, et al.Journal of Computational Chemistry|February 7, 2020
Systematic microsolvation approach with a cluster-continuum scheme and conformational samplingGregor N Simm, Paul L Türtscher, Markus ReiherThe Journal of Chemical Physics|February 6, 2008
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theoryKarin Kiewisch, Georg Eickerling, Markus Reiher, et al.Journal of Chemical Theory and Computation|February 17, 2025
Non-iterative Triples for Transcorrelated Coupled Cluster TheoryMaximilian Mörchen, Alberto Baiardi, Michał Lesiuk, et al.Physical Chemistry Chemical Physics : PCCP|November 23, 2013
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUOPaweł Tecmer, Katharina Boguslawski, Örs Legeza, et al.Pageof 27