Abhijit Chatterjee
Core Faculty
Chemical Engineering
Indian Institute of Technology Bombay
India
Biography
Background Dual Degree (B.Tech. & M.Tech), Chemical Engineering, IIT Delhi, 2002 Ph.D., Chemical Engineering, University of Delaware, USA 2007 Post-Doctoral Research, Physics & Chemistry of Materials (T-1), Los Alamos National Laboratory, USA 2007-2009 Affiliations 2013 onwards Department of Chemical Engg., Indian Institute of Technology Bombay 2009-2013 Department of Chemical Engg., Indian Institute of Technology Kanpur 2007-2009 Physics & Chemistry of Materials (T-1), Los Alamos National Laboratory, USA
Research Interest
Heteroepitaxial and thin film growth Diffusion in metals and ionic materials Design of multifunctional materials Our research group is involved in i) the development of accurate multiscale models spanning electronic to continuum scales, and ii) employing these multiscale models along with standard modeling and optimization techniques to design new multifunctional materials. Specific applications include batteries, fuel cells, opto-electronic devices (quantum dots) and heterogeneous catalysis. A list of modeling tools we employ include: Density Functional Theory (DFT) Molecular dynamics (MD) Transition State Theory (TST) Accelerated Molecular Dynamics techniques (AMD) Kinetic Monte Carlo (KMC) Temporally accelerated KMC, e.g., tau-leap KMC methods Spatially coarse-grained KMC (CGMC) Continuum mesoscopic equations (CME)
Publications
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Verma, S., Rehman, T., Chatterjee, A. , "A cluster expansion model for rate constants of surface diffusion processes on Ag, Al, Cu, Ni, Pd and Pt(100) surfaces", Surface Science, 2013
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Bhute, V., Chatterjee, A. , "Accuracy of a Markov state model generated by searching for basin escape pathways", The Journal of Chemical Physics, vol. 138, pp. 084103, 2013
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Rehman, T., Jaipal, M., Chatterjee, A. , "A Cluster Expansion Model For Predicting Activation Barrier Of Atomic Processes", Journal of Computational Physics, vol. 243, pp. 244-259, 2013