Energy Rank Alignment: Using Preference Optimization to Search Chemical Space at Scale

1 code implementation • 21 May 2024 • Shriram Chennakesavalu, Frank Hu, Sebastian Ibarraran, Grant M. Rotskoff

Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms.

Cooperative multi-agent reinforcement learning for high-dimensional nonequilibrium control

1 code implementation • 12 Nov 2021 • Shriram Chennakesavalu, Grant M. Rotskoff

Experimental advances enabling high-resolution external control create new opportunities to produce materials with exotic properties.

Multi-agent Reinforcement Learning reinforcement-learning +2