Showing results (91-100 of 165) with videos related to

Sort By:
Pageof 17
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2011
A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation statesJohannes Hachmann, Brenda A Frazier, Peter T Wolczanski, et al.
Nano Letters|April 3, 2009
Perfect reflection of chiral fermions in gated graphene nanoribbonsJesse M Kinder, Jonathan J Dorando, Haitao Wang, et al.
Journal of Chemical Theory and Computation|August 27, 2024
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's FunctionLeopoldo Mejía, Sandeep Sharma, Roi Baer, et al.
The Journal of Chemical Physics|November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systemsQiming Sun, Timothy C Berkelbach, James D McClain, et al.
Journal of Chemical Theory and Computation|September 28, 2017
Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio HamiltoniansEnrico Ronca, Zhendong Li, Carlos A Jimenez-Hoyos, 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.
The Journal of Chemical Physics|July 11, 2016
Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithmsGarnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani, 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.
Pageof 17