Niranjan Govind

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Marat Valiev, Eric J. Bylaska, Niranjan Govind et al. · Computer Physics Communications · 2010 · 5.7K citations

Engineering, Natural Sciences, Molecular Biology +9

A generalized synchronous transit method for transition state location

Niranjan Govind, Max Petersen, George Fitzgerald et al. · Computational Materials Science · 2003 · 1.3K citations

Transport Network Analysis, Synchronization Protocol, Systems Engineering +3

Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional

Sivan Refaely‐Abramson, Sahar Sharifzadeh, Niranjan Govind et al. · Physical Review Letters · 2012 · 294 citations · Full text

Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores

Kenneth A. Lopata, Niranjan Govind · Journal of Chemical Theory and Computation · 2011 · 274 citations

Engineering, Excitation Energy Transfer, Computational Chemistry +20

Orbital-free kinetic-energy density functionals with a density-dependent kernel

Yan Alexander Wang, Niranjan Govind, Emily A. Carter · Physical review. B, Condensed matter · 1999 · 255 citations

Aluminium Nitride, Wang-govind-carter Functionals, Engineering +17