libKEDF: An accelerated library of kinetic energy density functionals. - Johannes M. Dieterich; William C. Witt; Emily A. Carter (J. Comput. Chem., 2017)

High-performance training and inference for deep equivariant interatomic potentials. - Chuin Wei Tan; Marc L. Descoteaux; Mit Kotak; Gabriel de Miranda Nascimento; Seán R. Kavanagh; Laura Zichi; Menghang Wang; Aadit Saluja; Yizhong R. Hu; Tess E. Smidt; Anders Johansson; William C. Witt; et al. (CoRR, 2025)