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Manas Sharma

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Preprint Jul 2026

MLIP Studio: An Open Platform for Interactive Benchmarking and Atomistic Simulations Using Machine Learning Interatomic Potentials

This work introduces MLIP Studio, an open and free platform that brings more than 60 universal MLIPs into a unified interactive interface for molecules and materials, and demonstrates that MLIP-based pre-optimization can reduce subsequent DFT optimization effort by ~33$\times$.

Manas Sharma, Sudeep N. Punnathanam, A. Rajan · 1 citation