Scientist
Computational Catalysis
CSIR - Indian Institute of Petroleum, Dehradun
A value-driven and highly competent R & D professional having expertise in computational catalyst development with seven years of industrial and academic experience; currently associated with CSIR - Indian Institute of Petroleum (IIP) as Scientist in Molecular Modeling for Industrial Catalyst Development. Winner of Gandhian Young Technological Innovation award and BIRAC BIG start-up grant. Co-Founder of WowChemE India Pvt. Ltd. Start-up working on renewable fuel and chemicals, a spinoff from IIT Delhi initially funded by Biotechnology Ignition Grant (BIG) Startup grant from the Department of Biotechnology, India.
-
Expertise in high performance computing (HPC) using Density Functional Theory (DFT) molecular modeling tools.
-
Research interests in theoretical (DFT) and experimental heterogeneous catalysis, solid oxide fuel cells, bio-renewable chemicals and fuels.
-
Molecular Modeling expertise in:
-
DFT codes: VASP, DMol3, GPAW, Dacapo, Quantum Espresso
-
Computational Platform: ASE, Material Studio, MedeA
-
Molecular Dynamics: LAMMPS, Forcite
-
Expertise and Research Interest
Education and Experience
Scientist (July 2020 - continuing)
CSIR - Indian Institute of Petroleum, Dehradun, India
Postdoctoral Research Associate (July 2019 - Dec 2019)
West Virginia University, WV, USA
Institute Postdoctoral Fellow (June 2016 - June 2019)
Indian Institute of Technology (IIT) Delhi, Delhi
Postdoctoral Research Associate (July 2013 – Jan 2014)
Technical University of Denmark (DTU), Denmark and Stanford University, USA
PhD (Computational Catalysis) (July 2010 – June 2013)
Technical University of Denmark (DTU), Denmark
M. Sc. (Chemistry) (July 2007 – June 2009)
Indian Institute of Technology (IIT) Kanpur, Kanpur
B. Sc. (Chemistry) (July 2004 – June 2007)
Calcutta University, India