Showing results (51-60 of 146) with videos related to
Sort By:
Pageof 15
The Journal of Chemical Physics|January 22, 2018
Perspective: Theory of quantum transport in molecular junctionsMichael Thoss, Ferdinand EversThe Journal of Chemical Physics|April 8, 2017
A multilayer multiconfiguration time-dependent Hartree simulation of the reaction-coordinate spin-boson model employing an interaction pictureHaobin Wang, Michael ThossThe Journal of Physical Chemistry. A|July 20, 2007
Quantum dynamical simulation of electron-transfer reactions in an anharmonic environmentHaobin Wang, Michael ThossThe Journal of Chemical Physics|November 8, 2022
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2Tamar Goldzak, Xiao Wang, Hong-Zhou Ye, et al.Journal of Chemical Theory and Computation|April 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic NanoparticlesCaitlin A McCandler, Chatipat Lorpaiboon, Timothy C Berkelbach, et al.The Journal of Chemical Physics|January 2, 2025
Simulating anharmonic vibrational polaritons beyond the long wavelength approximationDipti Jasrasaria, Arkajit Mandal, David R Reichman, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 13, 2009
Thermodynamics of a subensemble of a canonical ensembleMaxim F Gelin, Michael ThossThe Journal of Chemical Physics|August 24, 2014
Non-oscillatory flux correlation functions for efficient nonadiabatic rate theoryJeremy O Richardson, Michael ThossThe Journal of Chemical Physics|July 26, 2013
Communication: nonadiabatic ring-polymer molecular dynamicsJeremy O Richardson, Michael ThossJournal of Chemical Theory and Computation|August 8, 2019
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error Using Fast Randomized IterationSamuel M Greene, Robert J Webber, Jonathan Weare, et al.Pageof 15