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cond-mat.mtrl-sci2025★ 1 cited
Benchmarking Universal Machine Learning Interatomic Potentials on Elemental Systems
Hossein Tahmasbi, Andreas Knüpfer, Thomas D. Kühne +1
The rapid emergence of universal Machine Learning Interatomic Potentials (uMLIPs) has transformed materials modeling. However, a comprehensive understanding of their generalization…
cond-mat.mtrl-sci2023★ 4 cited
Machine Learning-Driven Structure Prediction for Iron Hydrides
Hossein Tahmasbi, Kushal Ramakrishna, Mani Lokamani +1
We created a computational workflow to analyze the potential energy surface (PES) of materials using machine-learned interatomic potentials in conjunction with the minima hopping a…