Showing results (31-40 of 192) with videos related to
Sort By:
Pageof 20
The Journal of Physical Chemistry. B|April 8, 2006
A first-principles investigation of LiNH(2) as a hydrogen-storage material: effects of substitutions of K and Mg for LiChangjun Zhang, Ali AlaviThe Journal of Chemical Physics|September 17, 2015
Multireference linearized coupled cluster theory for strongly correlated systems using matrix product statesSandeep Sharma, Ali AlaviJournal of Chemical Theory and Computation|February 13, 2018
Combining the Transcorrelated Method with Full Configuration Interaction Quantum Monte Carlo: Application to the Homogeneous Electron GasHongjun Luo, Ali AlaviJournal of the American Chemical Society|July 7, 2005
First-principles study of superabundant vacancy formation in metal hydridesChangjun Zhang, Ali AlaviJournal of Chemical Theory and Computation|June 16, 2026
Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active SpacesLuca Bonfirraro, Oskar Weser, Carmen J Calzado, et al.The Journal of Chemical Physics|May 13, 2010
Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: a study of ionization potentialsGeorge H Booth, Ali AlaviThe Journal of Chemical Physics|April 20, 2005
A comparison of Hartree-Fock and exact diagonalization solutions for a model two-electron systemDavid C Thompson, Ali AlaviComputational Intelligence and Neuroscience|January 11, 2022
A Novel Framework Based on Deep Learning and ANOVA Feature Selection Method for Diagnosis of COVID-19 Cases from Chest X-Ray ImagesHamid Nasiri, Seyed Ali AlaviJournal of Chemical Theory and Computation|November 18, 2015
Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark StudyKonstantinos D Vogiatzis, Giovanni Li Manni, Samuel J Stoneburner, et al.The Journal of Chemical Physics|December 15, 2020
The adaptive shift method in full configuration interaction quantum Monte Carlo: Development and applicationsKhaldoon Ghanem, Kai Guther, Ali AlaviPageof 20