Faculty Profile
 

Abhijit Chatterjee
Assistant Professor

B.Tech., Chemical Engineering, IIT Delhi, 2002
M.Tech., Chemical Engineering, IIT Delhi, 2002
Ph.D., Chemical Engineering, University of Delaware, USA 2007

Post-Doctoral Fellow, Physics & Chemistry of Materials (T-1)
Los Alamos National Laboratory, USA 2007-2009


Phone (office): +91-512-259-6591
Fax (office): +91-512-259-0104
Email: achatter[AT]iitk.ac.in

Webpage: http://home.iitk.ac.in/~achatter/index.php/Home.dwt

Research Interests

  • Heteroepitaxial and thin film growth
  • Diffusion in metals and ionic materials
  • Design of multifunctional materials

  Brief Overview of Research:

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)

  Awards and Honours:

  • Directors Postdoctoral Fellowship at Los Alamos National Laboratory (LANL) 2007.

  • First prize in Nanoscale Science Engineering Forum (NSEF) poster session of AIChE conference 2006, San Francisco, California.

  • Competitive graduate fellowship, University of Delaware, 2005-2006.

Professional Affiliations:

  • American Institute of Chemical Engineers (AIChE)

  • Materials Research Society (MRS)

List of Publications:

  • Collins S.D., A. Chatterjee, and D.G. Vlachos, Coarse-grained kinetic Monte Carlo models: Complex lattices, multicomponent systems and homogenization at the stochastic level. Journal of Chemical Physics. 2008. 129: p. 184101.

  • Chatterjee, A., and D.G. Vlachos, A continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes. Journal of Chemical Physics, 2007. 127: p. 034705. Also in Virtual Journal of Nanoscale Science and Technology, 2007. 16(5).

  • Chatterjee, A., and D.G. Vlachos, An overview of spatial microscopic and accelerated kinetic Monte Carlo methods for materials simulation. Journal of Computer-Aided Materials Design, Review Article, invited, 2007. 14(2): p. 253-308.

  • Chatterjee, A., and D.G. Vlachos, Systems tasks in nanotechnology via hierarchical multiscale modeling: Nanopattern formation in heteroepitaxy. Chemical Engineering Science, 2007. 62(18-20): p. 4852-4863.

  • Chatterjee, A., and D.G. Vlachos, Multiscale coarse-grained Monte Carlo simulations: Multigriding, computational singular perturbation and hierarchical stochastic closures. Journal of Chemical Physics, 2006. 124(6): p. 064110.

  • Chatterjee, A., and D.G. Vlachos, Temporal acceleration of spatially distributed kinetic Monte Carlo simulations. Journal of Computational Physics, 2006. 211(2): p. 596-615.

  • Snyder, M.A., A. Chatterjee, and D.G. Vlachos, Net-event kinetic Monte Carlo for overcoming stiffness in spatially homogeneous and distributed systems. Computers & Chemical Engineering, 2005. 29(4): p. 701-712.

  • Chatterjee, A., M.A. Katsoulakis, and D.G. Vlachos, Spatially adaptive grand canonical Monte Carlo simulations. Physical Reviews E, 2005. 71(2): p. 026702.

  • Chatterjee, A., D.G. Vlachos, and M. Katsoulakis, Numerical assessment of theoretical error estimates in coarse-grained kinetic Monte Carlo simulations: Application to surface diffusion. International Journal for Multiscale Computational Engineering, 2005. 3(1): p. 59-70.

  • Chatterjee, A., K. Mayawala, J.S. Edwards, and D.G. Vlachos, Time accelerated Monte Carlo simulations using the binomial tau-leap method. Bioinformatics, 2005. 21(9): p. 2136-2137.

  • Chatterjee, A., D.G. Vlachos, and M. Katsoulakis, Binomial distribution based tau-leap accelerated stochastic simulation. Journal of Chemical Physics, 2005. 122: p. 024112.

  • Chatterjee, A., D.G. Vlachos, and M.A. Katsoulakis, Spatially adaptive lattice coarse-grained Monte Carlo simulations for diffusion. Journal of Chemical Physics, 2004. 121(22): p. 11420-11431. Also in Virtual Journal of Nanoscale Science and Technology, 2004. 10(24).

  • Chatterjee, A., M.A. Snyder, and D.G. Vlachos, Mesoscopic modeling of chemical reactivity. Chemical Engineering Science, invited, 2004. 59(22-23): p. 5559-5567.

  • Chatterjee, A., et al., Modeling of radial flow hollow fiber module and estimation of model parameters using numerical techniques. Journal of Membrane Science, 2004. 236(1-2): p. 1-16.

 

Webpage last updated on: December 18, 2009