19 citations · 29 across the 4 of their papers we have counts for
4 papers
Active Learning Strategies for Efficient Machine-Learned Interatomic Potentials Across Diverse Material Systems
Mohammed Azeez Khan, Aaron D'Souza, Vijay Choyal
Efficient materials discovery requires reducing costly first-principles calculations for training machine-learned interatomic potentials (MLIPs). We develop an active learning (AL)…
Exploration of amorphous VO as cathode for magnesium batteries
Vijay Choyal, Debsundar Dey, Gopalakrishnan Sai Gautam
Development of energy storage technologies that can exhibit higher energy densities, better safety, and lower supply-chain constraints than the current state-of-the-art Li-ion batt…
Constructing and evaluating machine-learned interatomic potentials for Li-based disordered rocksalts
Vijay Choyal, Nidhish Sagar, Gopalakrishnan Sai Gautam
Lithium-based disordered rocksalts (LDRs), which are an important class of cathodes for advanced Li-ion batteries, represent a complex chemical and configurational space for conven…
On transversely isotropic mechanical properties of vacancy defected carbon nanotubes
S. I. Kundalwal, Vijay Choyal
Molecular dynamics (MD) simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) force fields were conducted to determine the transversely isotropic elastic…