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physics.chem-ph2024★ 2 cited
Transferable Water Potentials Using Equivariant Neural Networks
Tristan Maxson, Tibor Szilvasi
Machine learning interatomic potentials (MLIPs) are an emerging modeling technique that promises to provide electronic structure theory accuracy for a fraction of its cost, however…
physics.chem-ph2024★ 2 cited
Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices
Tristan Maxson, Ademola Soyemi, Benjamin W. J. Chen +1
Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. Ho…