An E(3)-equivariant deep RL framework lets an O2 agent discover kinetically plausible diffusion and dissociation pathways in disordered Si/a-SiO2 without hand-crafted reaction coordinates or collective variables.
Inherent Si dangling bond defects at the thermal (110) Si/SiO 2 interface
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Bridging Atomistic Simulation and Experimental Processing Timescales with Goal-Directed Deep Reinforcement Learning
An E(3)-equivariant deep RL framework lets an O2 agent discover kinetically plausible diffusion and dissociation pathways in disordered Si/a-SiO2 without hand-crafted reaction coordinates or collective variables.