Publications
Peer Reviewed Papers
Generalized Nano-thermodynamic Model for Capturing Size-dependent Segregation in Multi-metal Alloy Nanoparticles, S Divi, A Chatterjee, RSC Advances 8 (19), 10409-10424, 2018.
Improved Prediction Of Heat Of Mixing And Segregation In Metallic Alloys Using Tunable Mixing Rule For Embedded Atom Method, S Divi, G Agrahari, S Kadulkar, S Kumar, A Chatterjee - Modelling and Simulation in Materials Science and Engineering 25 (8), 085011
Understanding Segregation Behavior in AuPt, NiPt, and AgAu Bimetallic Nanoparticles Using Distribution Coefficients, S Divi, A Chatterjee, The Journal of Physical Chemistry C 120 (48), 27296-27306, 2016
Accelerating rare events while overcoming the low-barrier problem using a temperature program, S Divi, A Chatterjee, The Journal of chemical physics 140 (18), 184115 2014
Study of Silicon Thin Film Growth at High Deposition Rates Using Parallel Replica Molecular Dynamics Simulations, S Divi, A Chatterjee, Energy Procedia 54, 270-280, 2014
Non-Peer Reviewed Posters and Talks
Improved Embedded Atom Method for Binary Alloys, Research Scholar Symposium (RSS-2017), Department of Chemical Engineering, IIT Bombay. [Oral]
Understanding Species Distribution in Bimetallic Nanoparticles, Research Scholar Symposium (RSS-2017), Department of Chemical Engineering, IIT Bombay. [3MT]
Accelerating Rare Events While Overcoming the Low-Barrier Problem Using a Temperature Program, Recent Advances in Modeling Rare Events (RARE-2014), IIT Kanpur. [Poster]
Developing Computational Techniques for Simulations of Material Surfaces, Research Scholar Symposium (RSS-2014), Department of Chemical Engineering, IIT Bombay. [Poster]
Understanding Atomic Structures & Process During Silicon Thin Film Growth Using Massively Parallel Molecular Simulations, Parallel Computing Technologies (PARCOMPTECH-2013), Centre for Development of Advanced Computing (CDAC), Bangalore. [Poster]