2 papers
physics.bio-ph2026
-Girsanov: A Generalized Method to Construct Markov State Models from Non-Equilibrium and Multiensemble Biased Simulations
Mingyuan Zhang, Yong Wang, Bettina G. Keller +1
We introduce -Girsanov, a new method for constructing Markov state models from biased enhanced-sampling molecular dynamics simulations based on Girsanov reweighting. The key ide…
cond-mat.mtrl-sci2019
Correlations in the chain melting of host-guest Calcium
Jiahao Dong, Yao Luo, Yong Wang +1
In this paper, we study chain melting state in the commensurate host-guest structure of calcium. We trained a NN (neural network) force field with DeepMD-kit, and by implementing c…