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cs.CE2025
Extrapolating Phase-Field Simulations in Space and Time with Purely Convolutional Architectures
Christophe Bonneville, Nathan Bieberdorf, Pieterjan Robbe +4
Phase-field models of liquid metal dealloying (LMD) can resolve rich microstructural dynamics but become intractable for large domains or long time horizons. We present a condition…
cond-mat.mtrl-sci2025
MP-ALOE: An r2SCAN dataset for universal machine learning interatomic potentials
Matthew C. Kuner, Aaron D. Kaplan, Kristin A. Persson +2
We present MP-ALOE, a dataset of nearly 1 million DFT calculations using the accurate r2SCAN meta-generalized gradient approximation. Covering 89 elements, MP-ALOE was created usin…