Narbe Mardirossian

发表

Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional.

M. Head‐Gordon, Narbe Mardirossian, N. Mardirossian, 2018, The Journal of chemical physics.

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

M. Head‐Gordon, Narbe Mardirossian, N. Mardirossian, 2017 .

Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?

M. Head‐Gordon, J. Neaton, Jonathon Witte, 2017, Journal of chemical theory and computation.

Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation.

Paul R. Horn, M. Head‐Gordon, T. Head-Gordon, 2016, The Journal of chemical physics.

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation.

M. Head‐Gordon, Narbe Mardirossian, N. Mardirossian, 2016, The Journal of chemical physics.

Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm.

Paul R. Horn, Samuel F. Manzer, M. Head‐Gordon, 2015, The Journal of chemical physics.

Mapping the genome of meta-generalized gradient approximation density functionals: the search for B97M-V.

M. Head‐Gordon, Narbe Mardirossian, N. Mardirossian, 2015, The Journal of chemical physics.

Note: The performance of new density functionals for a recent blind test of non-covalent interactions.

M. Head‐Gordon, Narbe Mardirossian, N. Mardirossian, 2016, The Journal of chemical physics.

On the Use of the rVV 10 Nonlocal Correlation Functional in the B 97 MV Density Functional : Defining B 97 MrV and Related Functionals

Head-Gordon, M. Head‐Gordon, Chris-Kriton Skylaris, 2017 .

Use of the rVV 10 Nonlocal Correlation Functional in the B 97 M ‐ V Density Functional : De fi ning B 97 MrV and Related Functionals

M. Head‐Gordon, T. Head-Gordon, Chris-Kriton Skylaris, 2016 .

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionals† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04711d

M. Head‐Gordon, T. Head-Gordon, Narbe Mardirossian, 2017, Chemical science.

Toward chemical accuracy in the description of ion-water interactions through many-body representations. Alkali-water dimer potential energy surfaces.

A. W. Götz, F. Paesani, Narbe Mardirossian, 2017, The Journal of chemical physics.