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The Journal of Chemical Physics|July 9, 2021
Low communication high performance ab initio density matrix renormalization group algorithmsHuanchen Zhai, Garnet Kin-Lic ChanThe Journal of Chemical Physics|November 1, 2022
A comparison between the one- and two-step spin-orbit coupling approaches based on the ab initio density matrix renormalization groupHuanchen Zhai, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|October 19, 2023
An Ab Initio Correction Vector Restricted Active Space Approach to the L-Edge XAS and 2p3d RIXS Spectra of Transition Metal ComplexesSeunghoon Lee, Huanchen Zhai, Garnet Kin-Lic ChanThe Journal of Chemical Physics|July 7, 2025
Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired frameworkYuhang Ai, Huanchen Zhai, Johannes Tölle, et al.Science (New York, N.Y.)|September 8, 2022
Systematic electronic structure in the cuprate parent state from quantum many-body simulationsZhi-Hao Cui, Huanchen Zhai, Xing Zhang, et al.Journal of Chemical Theory and Computation|January 21, 2022
Matrix Product States with Large SitesHenrik R Larsson, Huanchen Zhai, Klaas Gunst, et al.The Journal of Chemical Physics|August 3, 2021
Conservation laws in coupled cluster dynamics at finite temperatureRuojing Peng, Alec F White, Huanchen Zhai, 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.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.Physical Review Letters|July 31, 2025
Accurate Simulation of the Hubbard Model with Finite Fermionic Projected Entangled Pair StatesWen-Yuan Liu, Huanchen Zhai, Ruojing Peng, et al.Pageof 16