An overview of spatial microscopic and accelerated kinetic Monte Carlo methods A Chatterjee, DG Vlachos Journal of computer-aided materials design 14, 253-308, 2007 | 569 | 2007 |

Binomial distribution based τ-leap accelerated stochastic simulation A Chatterjee, DG Vlachos, MA Katsoulakis The Journal of chemical physics 122 (2), 2005 | 326 | 2005 |

Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants A Chatterjee, AF Voter The Journal of chemical physics 132 (19), 2010 | 141 | 2010 |

A Novel α-MoO3/Single-Walled Carbon Nanohorns Composite as High-Performance Anode Material for Fast-Charging Lithium-Ion Battery SR Sahu, VR Rikka, P Haridoss, A Chatterjee, R Gopalan, R Prakash Advanced Energy Materials, 2001627, 2020 | 86 | 2020 |

Time accelerated Monte Carlo simulations of biological networks using the binomial τ-leap method A Chatterjee, K Mayawala, JS Edwards, DG Vlachos Bioinformatics 21 (9), 2136-2137, 2005 | 81 | 2005 |

In situ/ex situ Investigations on the Formation of the Mosaic Solid-Electrolyte Interface Layer on Graphite Anode for Lithium-Ion Batteries V Rao Rikka, SR Sahu, A Chatterjee, PV Satyam, R Prakash, MSR Rao, ... The Journal of Physical Chemistry Part C 122 (50), 28717-28726, 2018 | 77 | 2018 |

Spatially adaptive lattice coarse-grained Monte Carlo simulations for diffusion of interacting molecules A Chatterjee, DG Vlachos, MA Katsoulakis The Journal of chemical physics 121 (22), 11420-11431, 2004 | 75 | 2004 |

Multiscale spatial Monte Carlo simulations: Multigriding, computational singular perturbation, and hierarchical stochastic closures A Chatterjee, DG Vlachos The Journal of chemical physics 124 (6), 2006 | 74 | 2006 |

Net-event kinetic Monte Carlo for overcoming stiffness in spatially homogeneous and distributed systems MA Snyder, A Chatterjee, DG Vlachos Computers & Chemical Engineering 29 (4), 701-712, 2005 | 68 | 2005 |

Modeling of a radial flow hollow fiber module and estimation of model parameters using numerical techniques A Chatterjee, A Ahluwalia, S Senthilmurugan, SK Gupta Journal of membrane science 236 (1-2), 1-16, 2004 | 56 | 2004 |

An off-lattice, self-learning kinetic Monte Carlo method using local environments D Konwar, VJ Bhute, A Chatterjee Journal of Chemical Physics 135 (17), 174103, 2011 | 52 | 2011 |

Mesoscopic modeling of chemical reactivity A Chatterjee, MA Snyder, DG Vlachos Chemical Engineering Science 59 (22-23), 5559-5567, 2004 | 40 | 2004 |

A cluster expansion model for rate constants of surface diffusion processes on Ag, Al, Cu, Ni, Pd and Pt (100) surfaces S Verma, T Rehman, A Chatterjee Surface science 613, 114-125, 2013 | 38 | 2013 |

A cluster expansion model for predicting activation barrier of atomic processes T Rehman, M Jaipal, A Chatterjee Journal of Computational Physics 243, 244-259, 2013 | 36 | 2013 |

Understanding Segregation Behavior in AuPt, NiPt, and AgAu Bimetallic Nanoparticles Using Distribution Coefficients S Divi, A Chatterjee J. Phys. Chem. C 120 (48), 27296–27306, 2016 | 35 | 2016 |

Coarse-grained kinetic Monte Carlo models: Complex lattices, multicomponent systems, and homogenization at the stochastic level SD Collins, A Chatterjee, DG Vlachos The Journal of chemical physics 129 (18), 2008 | 34 | 2008 |

Generalized nano-thermodynamic model for capturing size-dependent surface segregation in multi-metal alloy nanoparticles S Divi, A Chatterjee RSC Advances 8, 10409, 2018 | 33 | 2018 |

Relative Occurrence of Oxygen-Vacancy Pairs in Yttrium-Containing Environments of Y2O3-Doped ZrO2 Can Be Crucial to Ionic Conductivity M Jaipal, A Chatterjee J. Phys. Chem. C 121 (27), 14534-14543, 2017 | 33 | 2017 |

Temporal acceleration of spatially distributed kinetic Monte Carlo simulations A Chatterjee, DG Vlachos Journal of Computational Physics 211 (2), 596-615, 2006 | 33 | 2006 |

Flagellar filament bio-templated inorganic oxide materials – towards an efficient lithium battery anode SN Beznosov, PS Veluri, MG Pyatibratov, A Chatterjee, DR MacFarlane, ... Nature Scientific Reports 5, 7736, 2015 | 32 | 2015 |