Kaushik Nanda

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

Observation of the fastest chemical processes in the radiolysis of water

Zhi-Heng Loh, Gilles Doumy, Caroline Arnold et al. · Science · 2020 · 270 citations · Full text

Predicting Organic Crystal Lattice Energies with Chemical Accuracy

Gregory J. O. Beran, Kaushik Nanda · The Journal of Physical Chemistry Letters · 2010 · 213 citations

Crystal Structure, Engineering, Post-mp2 Corrections +16

Practical quantum mechanics-based fragment methods for predicting molecular crystal properties

Shuhao Wen, Kaushik Nanda, Yuanhang Huang et al. · Physical Chemistry Chemical Physics · 2012 · 133 citations

Engineering, Computational Chemistry, Chemistry +18

Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks

Kaushik Nanda, Anna I. Krylov · The Journal of Chemical Physics · 2015 · 81 citations · Full text

Localized Excited State, Engineering, Equation-of-motion Coupled-cluster Formalism +26