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Journal of Chemical Theory and Computation|January 15, 2025
Accurate QM/MM Molecular Dynamics for Periodic Systems in GPU4PySCF with Applications to Enzyme CatalysisChenghan Li, Garnet Kin-Lic ChanThe Journal of Chemical Physics|January 24, 2015
The ab-initio density matrix renormalization group in practiceRoberto Olivares-Amaya, Weifeng Hu, Naoki Nakatani, et al.Journal of Chemical Theory and Computation|September 28, 2018
A Time-Dependent Formulation of Coupled-Cluster Theory for Many-Fermion Systems at Finite TemperatureAlec F White, Garnet Kin-Lic ChanThe Journal of Physical Chemistry Letters|May 16, 2018
The Fate of Atomic Spin in Atomic Scattering off SurfacesJoshua S Kretchmer, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|October 11, 2019
Time-Dependent Coupled Cluster Theory on the Keldysh Contour for Nonequilibrium SystemsAlec F White, Garnet Kin-Lic ChanThe Journal of Chemical Physics|June 24, 2016
A state interaction spin-orbit coupling density matrix renormalization group methodElvira R Sayfutyarova, Garnet Kin-Lic ChanThe Journal of Chemical Physics|May 17, 2018
Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization groupElvira R Sayfutyarova, Garnet Kin-Lic ChanThe Journal of Chemical Physics|June 15, 2020
Finite-temperature coupled cluster: Efficient implementation and application to prototypical systemsAlec F White, Garnet Kin-Lic ChanThe Journal of Chemical Physics|June 11, 2005
Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenesGarnet Kin-Lic Chan, Troy Van VoorhisThe Journal of Chemical Physics|November 28, 2012
Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte CarloGeorge H Booth, Garnet Kin-Lic ChanPageof 17