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Physical Chemistry Chemical Physics : PCCP
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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 strategy
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
February 23, 2015
Mapping the genome of meta-generalized gradient approximation density functionals: the search for B97M-V
Narbe Mardirossian, Martin Head-Gordon
Journal 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 Energies
Narbe Mardirossian, Martin Head-Gordon
The 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 functional
Narbe Mardirossian, Martin Head-Gordon
The 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 corrections
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
June 10, 2016
ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation
Narbe Mardirossian, Martin Head-Gordon
Journal 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-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent tests
Narbe Mardirossian, John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
February 3, 2018
Lowering of the complexity of quantum chemistry methods by choice of representation
Narbe Mardirossian, James D McClain, Garnet Kin-Lic Chan
Journal 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.
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of 3
Search research articles
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Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
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 strategy
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
February 23, 2015
Mapping the genome of meta-generalized gradient approximation density functionals: the search for B97M-V
Narbe Mardirossian, Martin Head-Gordon
Journal 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 Energies
Narbe Mardirossian, Martin Head-Gordon
The 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 functional
Narbe Mardirossian, Martin Head-Gordon
The 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 corrections
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
June 10, 2016
ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation
Narbe Mardirossian, Martin Head-Gordon
Journal 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-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent tests
Narbe Mardirossian, John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
February 3, 2018
Lowering of the complexity of quantum chemistry methods by choice of representation
Narbe Mardirossian, James D McClain, Garnet Kin-Lic Chan
Journal 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.
Page
of 3