Bikram Kumar Das

I, Bikram Kumar Das, have completed my doctoral research work at the Department of Physics, Jadavpur University, Kolkata, India under the supervision of Prof. Kalyan Kumar Chattopadhyay. I obtained my Ph.D. degree on July 18th, 2022. Currently, I am working as a Post-doctoral researcher in the research line “Modelling and Simulation in Life and Material Sciences” under the supervision of Prof. Elena Akhmatskaya and Dr. Mauricio R. Bonilla at the Basque Center for Applied Mathematics-BCAM, Bilbao, Spain. Research interests: Density Functional Theory based study of: • Formation of solid electrolyte interface components in the lithium ion batteries. • Diffusion of atomic hydrogen in steel alloys. • Electronic and electrocatalytic activities of Graphynes, Graphdiyne and analogous two dimensional carbon materials. • Electronic, photocatalytic, thermal properties of various synthesized nano materials and their applications. • Electronic and electrocatalytic properties of two dimensional binary monolayers and transition metal di-chalcodenides. Ab-initio molecular dynamics study of: • Decomposition of electrolyte components such as di-methyl carbonate and ethylene carbonate on graphite anode and the formation of SEI components. • Diffusion kinetics of hydrogen within steel alloys and crack formation. Skills/ Experience: • Leading density functional theory based codes/ packages: VASP, Quantum Espresso and CASTEP. • “Free Energy” method for studying surface reactions • Ab Initio (DFT based) Molecular Dynamics • Study of thermal transport properties • Building and maintaining high performance parallel computing clusters • Comfortable working in group settings. Have extensive experiences in collaborating with experimentalists in diverse fields.