most citedEnergy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials

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cond-mat.mtrl-sci2025★ 1 cited

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…