233 citations · 771 across the 21 of their papers we have counts for
21 papers
Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations
Juno Nam, YounJoon Jung
We present a method to explore the free energy landscapes of chemical reactions with post-transition-state bifurcations using an enhanced sampling method based on well-tempered met…
Reaction-Path Statistical Mechanics of Enzymatic Kinetics
Hyuntae Lim, YounJoon Jung
We introduce a reaction-path statistical mechanics formalism based on the principle of large deviations to quantify the kinetics of single-molecule enzymatic reaction processes und…
MLSolv-A: A Novel Machine Learning-Based Prediction of Solvation Free Energies from Pairwise Atomistic Interactions
Hyuntae Lim, YounJoon Jung
Recent advances in machine learning and their applications have lead to the development of diverse structure-property relationship models for crucial chemical properties, and the s…
Many-Chain Effects on the Co-nonsolvency of Polymer Brushes in a Good Solvent Mixture
Gyehyun Park, YounJoon Jung
Polymer brushes normally swell in a good solvent and collapse in a poor solvent. An abnormal response of polymer brushes, so-called co-nonsolvency, is the phenomenon where the brus…
Coarse-graining strategy for modeling effective, highly diffusive fluids with reduced polydispersity: A dynamical study
Thomas Heinemann, YounJoon Jung
We present a coarse-graining strategy for reducing the number of particle species in mixtures to achieve a simpler system with higher diffusion while preserving the total particle…
Study of the upper-critical dimension of the East model through the breakdown of the Stokes-Einstein relation
Soree Kim, Dayton G. Thorpe, Juan P. Garrahan +2
We investigate the dimensional dependence of dynamical fluctuations related to dynamic heterogeneity in supercooled liquid systems using kinetically constrained models. The -dim…