cond-mat.mtrl-sci cs.LG
Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations
Attila Cangi Lenz Fiedler Bartosz Brzoza Karan Shah Timothy J. Callow Daniel Kotik Steve Schmerler Matthew C. Barry James M. Goff Andrew Rohskopf Dayton J. Vogel Normand Modine Aidan P. Thompson Sivasankaran Rajamanickam