GNN-Assisted Phase Space Integration with Application to Atomistics. - Shashank Saxena; Jan-Hendrik Bastek; Miguel Spinola; Prateek Gupta; Dennis M. Kochmann (CoRR, 2023)

AQCNES: A Quasi-Continuum Non-Equilibrium Solver. - Gerhard Bräunlich; Shashank Saxena; Manuel Weberndorfer; Miguel Spinola; Prateek Gupta; Dennis M. Kochmann (J. Open Source Softw., 2024)