28 citations · 104 across the 8 of their papers we have counts for
8 papers
WeTICA: A directed search weighted ensemble based enhanced sampling method to estimate rare event kinetics in a reduced dimensional space
Sudipta Mitra, Ranjit Biswas, Suman Chakrabarty
Estimating rare event kinetics from molecular dynamics simulations is a non-trivial task despite the great advances in enhanced sampling methods. Weighted Ensemble (WE) simulation,…
IceCoder: Identification of Ice phases in molecular simulation using variational autoencoder
Dibyendu Maity, Suman Chakrabarty
The identification and classification of different phases of ice within molecular simulations is a challenging task due to the complex and varied phase space of ice, which includes…
Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy
Ujjwal Kumar Nandi, Atreyee Banerjee, Suman Chakrabarty +1
We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Bias…
Interplay between crystallization and glass transition in binary Lennard-Jones mixtures
Atreyee Banerjee, Suman Chakrabarty, Sarika Maitra Bhattacharyya
In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the comp…
Gas-Liquid Nucleation in Two Dimensional System
Mantu Santra, Suman Chakrabarty, Biman Bagchi
We study the nucleation of the liquid phase from a supersaturated vapor in two dimensions (2D). Using different Monte Carlo simulation methods, we calculate the free energy barrier…
Mechanism of nucleation and growth near the gas-liquid spinodal
Prabhakar Bhimalapuram, Suman Chakrabarty, Biman Bagchi
Understanding the mechanism of nucleation of the stable phase inside the metastable parent phase during a first order phase transition has been a subject of outstanding interest in…