36 citations · 36 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2021
Generating stable molecules using imitation and reinforcement learning
Søren Ager Meldgaard, Jonas Köhler, Henrik Lund Mortensen +3
Chemical space is routinely explored by machine learning methods to discover interesting molecules, before time-consuming experimental synthesizing is attempted. However, these met…
cond-mat.mtrl-sci2020★ 36 cited
Atomistic Structure Learning Algorithm with surrogate energy model relaxation
Henrik Lund Mortensen, Søren Ager Meldgaard, Malthe Kjær Bisbo +2
The recently proposed Atomistic Structure Learning Algorithm (ASLA) builds on neural network enabled image recognition and reinforcement learning. It enables fully autonomous struc…