A new efficient machine-learning potential, where you can interpret the various terms is now out: The Jacobi-Legendre potential arxiv.org/abs/2208.10292 From Matteo Cobelli Michelangelo Domina urvesh patil cranntcd AMBER TCD_physics

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📢 The 7th Crystal Structure Prediction (CSP) Blind Test results are out! CSP, predicting a crystal structure from a 2D formula, is a grand challenge in chemistry. Solving it would expedite world changing R&D. This test lets scientists advance methods. ccdc-info.com/3NyZJ5b