Publication
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
Jesun Sahariar Firoz, Franco Pellegrini, Mario Geiger, Darren Hsu, Jenna A. Bilbrey, Han-Yi Chou, Maximilian Stadler, Markus Höhnerbach, Tingyu Wang, Dejun Lin, Emine Kucukbenli, Henry W. Sprueill, Ilyes Batatia, Sotiris S. Xantheas, Mal-Soon Lee, Christopher Mundy, Gabor Csanyi, Justin S. Smith, Ponnuswamy Sadayappan, Sutanay Choudhury
July 2025, ACM (Association for Computing Machinery)
DOI: 10.1145/3731545.3731594