Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials. - Mgcini Keith Phuthi; Archie Mingze Yao; Simon L. Batzner; Albert Musaelian; Boris Kozinsky; Ekin Dogus Cubuk; Venkatasubramanian Viswanathan (CoRR, 2023)

ASIMTools: A lightweight framework for scalable and reproducible atomic simulations. - Mgcini Keith Phuthi; Emil Annevelink; Venkatasubramanian Viswanathan (J. Open Source Softw., 2024)