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The Journal of Chemical Physics|January 26, 2010
Benchmark all-electron ab initio quantum Monte Carlo calculations for small moleculesNorbert Nemec, Michael D Towler, R J NeedsPhysical Review Letters|April 12, 2006
Contact dependence of carrier injection in carbon nanotubes: an ab initio studyNorbert Nemec, David Tománek, Gianaurelio CunibertiPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 13, 2007
Accurate forces in quantum Monte Carlo calculations with nonlocal pseudopotentialsA Badinski, R J NeedsJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 17, 2011
Ab initio random structure searchingChris J Pickard, R J NeedsThe Journal of Chemical Physics|February 16, 2015
Correlated electron pseudopotentials for 3d-transition metalsJ R Trail, R J NeedsThe Journal of Chemical Physics|January 11, 2005
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behaviorJ R Trail, R J NeedsJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Stable phases of iron at terapascal pressuresChris J Pickard, R J NeedsJournal of Chemical Theory and Computation|November 19, 2015
Comparison of Smooth Hartree-Fock PseudopotentialsJ R Trail, R J NeedsNature Materials|August 30, 2008
Highly compressed ammonia forms an ionic crystalChris J Pickard, R J NeedsPageof 6