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cond-mat.mtrl-sci2026
UniFFBench: Evaluating Universal Machine Learning Force Fields Against Experimental Measurements
Sajid Mannan, Vaibhav Bihani, Carmelo Gonzales +5
Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evalua…
cond-mat.mtrl-sci2025
Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials
Santiago Miret, Kin Long Kelvin Lee, Carmelo Gonzales +2
Universal Machine Learning Interactomic Potentials (MLIPs) enable accelerated simulations for materials discovery. However, current research efforts fail to impactfully utilize MLI…
cond-mat.mtrl-sci2025
Foundational Large Language Models for Materials Research
Vaibhav Mishra, Somaditya Singh, Dhruv Ahlawat +7
Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual da…