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Physical Chemistry Chemical Physics : PCCP|January 17, 2014
ωB97X-V: a 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategyNarbe Mardirossian, Martin Head-GordonThe Journal of Chemical Physics|February 23, 2015
Mapping the genome of meta-generalized gradient approximation density functionals: the search for B97M-VNarbe Mardirossian, Martin Head-GordonJournal of Chemical Theory and Computation|November 22, 2015
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction EnergiesNarbe Mardirossian, Martin Head-GordonThe Journal of Chemical Physics|July 2, 2018
Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functionalNarbe Mardirossian, Martin Head-GordonThe Journal of Chemical Physics|May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion correctionsNarbe Mardirossian, Martin Head-GordonThe Journal of Chemical Physics|June 10, 2016
ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlationNarbe Mardirossian, Martin Head-GordonJournal of Chemical Theory and Computation|August 19, 2016
How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?Narbe Mardirossian, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent testsNarbe Mardirossian, John A Parkhill, Martin Head-GordonJournal of Chemical Theory and Computation|April 11, 2017
Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?Jonathon Witte, Narbe Mardirossian, Jeffrey B Neaton, et al.The Journal of Chemical Physics|July 17, 2015
Fast, accurate evaluation of exact exchange: The occ-RI-K algorithmSamuel Manzer, Paul R Horn, Narbe Mardirossian, et al.Pageof 44