Prabir Khatua

Background

About Prabir Khatua

I am a computational chemist with ten years research experience. Currently I am working as an Assistant Professor at GITAM School of Science, Bengaluru Campus. Prior to this, I worked as a postdoc in the College of Staten Island, The City University of New York (July 2021 - September 2022), the University of Utah (August 2020 - June 2021) and the University of Oklahoma (September 2018 - July 2020). I obtained Ph.D. in Computational Biophysical Chemistry from the Indian Institute of Technology, Kharagpur (August 2018). My key research area is computational and theoretical biophysical and materials chemistry. Strong problem-solving, analytical, oral, and writing skills with 17 peer-reviewed scientific publications in reputed international journals, delivered 13+ scientific presentations to a diverse international audience. Strong interpersonal communication skills with research mentoring experience to undergraduate and graduate students. Key skills & experience:• Strong background in molecular dynamics (MD) and Monte Carlo (MC) simulation techniques, Statistical Mechanics, Biophysical Chemistry• Extensive research experience on structure, function, and dynamics of proteins, nucleic acids, polymers• Experience in developing enhanced simulation methods, coarse-grained force fields• Strong programming skills in Fortran, C, C++, Python with proficiency in writing in-house programs for MD trajectory analysis• Fluent in using MD software: NAMD, AMBER, Gromacs, LAMMPS, OpenMM• Extensive experience in using various advanced simulation techniques (Replica Exchange Molecular Dynamics, Steered Molecular Dynamics, Umbrella Sampling, Metadynamics), free energy, and entropy calculation methods• Experience in using and maintaining CPU/GPU-based clusters