Preprint
Aug 2026
Electrostatic Phenomenology Benchmarks for Machine-Learned Interatomic Potentials in Electrochemistry: Beyond the Energy-Force Metric
A benchmark suite of focused test cases designed to evaluate MLIPs on electrochemically relevant physical phenomena and establish a qualitative diagnostic routine complementary to aggregate energy-force metrics is introduced.
Barbara Sumić, Ria Vasdev, S. Ethirajan et al.
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