List of Publications

Bhute V. and A. Chatterjee, Building a kinetic Monte Carlo model of a chosen accuracy, Journal of Chemical Physics, 138, p. 244112
Verma S., T. Rehman, A. Chatterjee, A cluster expansion model for rate constants of surface diffusion processes on Ag, Al, Cu, Ni, Pd and Pt(100) surfaces, Surface Science, 2013
Bhute V. and A. Chatterjee, Accuracy of a Markov State Model generated by searching for basin escape pathways, Journal of Chemical Physics, 2013 138: p. 084103
Rehman T., M. Jaipal, and A. Chatterjee, A cluster expansion model for predicting activation barrier of atomic processes, Journal of Computational Physics, 2013 243: p. 244-259
Konwar D., V. Bhute, and A. Chatterjee, An off-lattice, self-learning kinetic Monte Carlo method using local environments, Journal of Chemical Physics, 2011 135: p. 174103
Chatterjee A., and A.F. Voter, Accurate acceleration of kinetic Monte Carlo through the modification of rate constants. Journal of Chemical Physics, 2010. 132: p. 194101
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.