Atomistic structure learning. - Mathias S. Jørgensen; Henrik L. Mortensen; Søren A. Meldgaard; Esben L. Kolsbjerg; Thomas L. Jacobsen; Knud H. Sørensen; Bjørk Hammer (CoRR, 2019)

Atomistic Structure Learning Algorithm with surrogate energy model relaxation. - Henrik Lund Mortensen; Søren Ager Meldgaard; Malthe Kjær Bisbo; Mads-Peter V. Christiansen; Bjørk Hammer (CoRR, 2020)

Generating stable molecules using imitation and reinforcement learning. - Søren Ager Meldgaard; Jonas Köhler 001; Henrik Lund Mortensen; Mads-Peter V. Christiansen; Frank Noé; Bjørk Hammer (Mach. Learn. Sci. Technol., 2022)