11 citations · 11 across the 2 of their papers we have counts for
2 papers
cs.LG2023
Distributed Reinforcement Learning for Molecular Design: Antioxidant case
Huanyi Qin, Denis Akhiyarov, Sophie Loehle +2
Deep reinforcement learning has successfully been applied for molecular discovery as shown by the Molecule Deep Q-network (MolDQN) algorithm. This algorithm has challenges when app…
cond-mat.mtrl-sci2023★ 11 cited
Aromatic molecules as sustainable lubricants explored by ab initio simulations
Stefan Peeters, Gabriele Losi, Sophie Loehlé +1
In the pursuit of sustainable lubricant materials, the conversion of common organic molecules into graphitic material has been recently shown to effectively reduce friction of meta…