Narbe Mardirossian

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

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

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

Narbe Mardirossian, Martin Head‐Gordon · Molecular Physics · 2017 · 2.2K citations · Full text

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

<i>ω</i>B97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

Narbe Mardirossian, Martin Head‐Gordon · The Journal of Chemical Physics · 2016 · 1.1K citations · Full text

Meta-gga Density, Engineering, Vv10 Nonlocal Correlation +7

Recent developments in the P<scp>y</scp>SCF program package

Qiming Sun, Xing Zhang, Samragni Banerjee et al. · The Journal of Chemical Physics · 2020 · 1K citations · Full text

Engineering, Machine Learning, Computational Chemistry +19