9 citations · 9 across the 2 of their papers we have counts for
2 papers
cond-mat.soft2021★ 9 cited
Predicting Adhesive Free Energies of Polymer--Surface Interactions with Machine Learning
Jiale Shi, Michael J. Quevillon, Pedro H. Amorim Valença +1
Polymer-surface interactions are crucial to many biological processes and industrial applications. Here we propose a machine-learning method to connect a model polymer's sequence w…
physics.comp-ph2021
Exploring the Potential of Parallel Biasing in Flat Histogram Methods
Shanghui Huang, Michael J. Quevillon, Ernesto C. Cortés-Morales +1
Metadynamics, a member of the `flat histogram' class of advanced sampling algorithms, has been widely used in molecular simulations to drive the exploration of states separated by…