140 citations · 168 across the 6 of their papers we have counts for
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MLIP Studio: An Open Platform for Interactive Benchmarking and Atomistic Simulations Using Machine Learning Interatomic Potentials
Manas Sharma, Sudeep Punnathanam, Ananth Govind Rajan
Universal machine learning interatomic potentials (MLIPs) are foundation AI models transforming atomistic simulations, but their practical use remains hindered by fragmented softwa…
Tailored Vapor Deposition Unlocks Large-Grain, Wafer-Scale Epitaxial Growth of 2D Magnetic CrCl3
Vivek Kumar, Abhishek Jangid, Manas Sharma +10
Two-dimensional magnetic materials (2D-MM) are an exciting playground for fundamental research, and for spintronics and quantum sensing. However, their large-grain large-area synth…
Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study
Brandon C. Wood, Shreyas Y. Bhide, Debosruti Dutta +5
With a view towards optimizing gas storage and separation in crystalline and disordered nanoporous carbon-based materials, we use ab initio density functional theory calculations t…