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Journal of Chemical Theory and Computation|January 21, 2022
Matrix Product States with Large SitesHenrik R Larsson, Huanchen Zhai, Klaas Gunst, et al.Nature Computational Science|January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterialsAlec F White, Chenghan Li, Xing Zhang, et al.Journal of the American Chemical Society|August 24, 2022
The Chromium Dimer: Closing a Chapter of Quantum ChemistryHenrik R Larsson, Huanchen Zhai, C J Umrigar, et al.The Journal of Chemical Physics|December 15, 2020
A coupled cluster framework for electrons and phononsAlec F White, Yang Gao, Austin J Minnich, et al.Journal of Chemical Theory and Computation|May 21, 2021
Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External SourcesSeunghoon Lee, Huanchen Zhai, Sandeep Sharma, et al.Faraday Discussions|September 11, 2024
Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantageGarnet Kin-Lic ChanThe Journal of Chemical Physics|July 23, 2004
An algorithm for large scale density matrix renormalization group calculationsGarnet Kin-Lic ChanPhysical Chemistry Chemical Physics : PCCP|June 7, 2008
Density matrix renormalisation group LagrangiansGarnet Kin-Lic ChanThe Journal of Physical Chemistry. A|November 15, 2023
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur ClustersHuanchen Zhai, Seunghoon Lee, Zhi-Hao Cui, et al.Science (New York, N.Y.)|July 30, 2026
Toward an exact quantum many-body treatment of Kondo correlation in magnetic impuritiesTianyu Zhu, Linqing Peng, Huanchen Zhai, et al.Pageof 17