no code implementations • 27 May 2023 • Senwei Liang, Aditya N. Singh, Yuanran Zhu, David T. Limmer, Chao Yang
We propose a reinforcement learning based method to identify important configurations that connect reactant and product states along chemical reaction paths.
no code implementations • 10 May 2021 • Avishek Das, Dominic C. Rose, Juan P. Garrahan, David T. Limmer
We present a method to probe rare molecular dynamics trajectories directly using reinforcement learning.
no code implementations • 25 Feb 2021 • Chloe Ya Gao, David T. Limmer
We introduce a thermodynamically consistent, minimal stochastic model for complementary logic gates built with field-effect transistors.
Statistical Mechanics Chemical Physics
1 code implementation • 15 Nov 2018 • Nicole Yunger Halpern, David T. Limmer
Using thermomajorization, we upper-bound the photoisomerization yield.
Quantum Physics Statistical Mechanics Chemical Physics