2 citations · 2 across the 2 of their papers we have counts for
3 papers
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…
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…
SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System
Chen Shen, Siamak Attarian, Yixuan Zhang +4
Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development…