2 papers
cond-mat.mtrl-sci2025
An Explainable AI Model for Binary LJ Fluids
Israrul H Hashmi, Rahul Karmakar, Marripelli Maniteja +2
Lennard-Jones (LJ) fluids serve as an important theoretical framework for understanding molecular interactions. Binary LJ fluids, where two distinct species of particles interact b…
cond-mat.soft2024
Extrapolative ML Models for Copolymers
Israrul H. Hashmi, Himanshu, Rahul Karmakar +1
Machine learning models have been progressively used for predicting materials properties. These models can be built using pre-existing data and are useful for rapidly screening the…