Niranjan Govind
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Photochemistry and Electron Transfer Studies, Machine Learning in Materials Science, X-ray Spectroscopy and Fluorescence Analysis
Most-Cited Works
- → NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations(2010)5,712 cited
- → A generalized synchronous transit method for transition state location(2003)1,268 cited
- → Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional(2012)297 cited
- → Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores(2011)277 cited
- → Orbital-free kinetic-energy density functionals with a density-dependent kernel(1999)257 cited
- → Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption(2012)243 cited
- → Quantitatively Probing the Al Distribution in Zeolites(2014)243 cited
- → Molecular structure and stability of dissolved lithium polysulfide species(2014)241 cited
- → Real-Time Time-Dependent Electronic Structure Theory(2020)239 cited
- → Electronic-structure calculations by first-principles density-based embedding of explicitly correlated systems(1999)234 cited