Niri GovindScientist IV, WR Wiley Environmental Molecular Sciences Laboratory, MSC Performance Software
http://emslbios.pnl.gov/id/govind_n Updated: August 2, 2010
Current Activities and Projects
Current: Developer of the Gaussian basis set DFT, TDDFT and properties modules in NWChem.
Accurate embedded-cluster modeling of insulators: applications to metal-oxide surface chemistry & surface excitation processes.
Excited state studies of chromophores using DFT/TDDFT.
Development of methods and algorithms in electronic structure theory (DFT, TDDFT).
Applications of DFT/TDDFT to problems in catalysis, interfacial science, excited-state studies in molecules and materials.
Efficient geometry optimization and transition state search algorithms.
Multi-physics modeling in materials science.
Linear-scaling methods in DFT.
Scientist, Research & Development, Accelrys, Inc, San Diego, CA, USA, 2000-2007
Postdoctoral Fellow, University of California, Los Angeles, CA, USA, 1997-2000
Graduate Research Assistant, McGill University, Montreal, Quebec, Canada
Ph.D., Physics, McGill University, Montreal, Canada
M.S., Physics, Indian Institute of Technology, Madras, India
EMSL Publications >View All EMSL Publications
Past: Significant contributions to widely used electronic structure program packages: DMol3, CASTEP, ONETEP, VAMP
Referee: Physical Review, Journal of Chemical Physics, Journal of Physical Chemistry, Chemical Physics Letters, Inorganic Chemistry