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The Journal of Chemical Physics|June 7, 2012
Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter spaceJonathan E Moussa, Peter A Schultz, James R ChelikowskyPhysical Review Letters|September 26, 2012
Theoretical design of a shallow donor in diamond by lithium-nitrogen codopingJonathan E Moussa, Noa Marom, Na Sai, et al.Nano Letters|November 2, 2020
Prediction of Intrinsic Ferroelectricity and Large Piezoelectricity in Monolayer Arsenic ChalcogenidesWeiwei Gao, James R ChelikowskyJournal of Chemical Theory and Computation|February 20, 2020
Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density FittingWeiwei Gao, James R ChelikowskyJournal of Chemical Theory and Computation|August 20, 2019
Real-Space Based Benchmark of G0W0 Calculations on GW100: Effects of Semicore Orbitals and Orbital ReorderingWeiwei Gao, James R ChelikowskyPhysical Review Letters|December 20, 2003
Charge state dependent Jahn-Teller distortions of the e-center defect in crystalline SiSerdar Oğüt, James R ChelikowskyJournal of Chemical Theory and Computation|November 7, 2018
Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential-Density Functional TheoryWeiwei Gao, James R ChelikowskySmall (Weinheim an Der Bergstrasse, Germany)|October 1, 2021
Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force MicroscopyDingxin Fan, James R ChelikowskyThe Journal of Chemical Physics|April 3, 2016
Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystalsN Scott Bobbitt, James R ChelikowskyPhysical Review Letters|June 29, 2006
Self-purification in semiconductor nanocrystalsGustavo M Dalpian, James R ChelikowskyPageof 8