2 papers
physics.bio-ph2024
An Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric Beyerle +2
Markov state models (MSMs) are valuable for studying dynamics of protein conformational changes via statistical analysis of molecular dynamics (MD) simulations. In MSMs, the comple…
cond-mat.dis-nn2024
Unsupervised machine learning for supercooled liquids
Yunrui Qiu, Inhyuk Jang, Xuhui Huang +1
Unraveling the relation between structural information and the dynamic properties of supercooled liquids is one of the grand challenges of physics. Dynamic heterogeneity, character…