148 citations · 745 across the 26 of their papers we have counts for
4 papers · 1 filter
Simulation and Network Assembly Pipelines for Dynamically Bonded Soft Materials
Tanner A. Wilcoxson, Tianhao Li, Tyla R. Holoman +3
Soft materials linked by reversible covalent or supramolecular bonds form a diverse class of assemblies with promising applications from nanoscience to medicine. Experiments typica…
Sampling Free Energy Landscapes of Ionic Colloidal Crystal Systems using Machine-Learned Proxy Collective Variables
Michael S. Chen, Stefano Sacanna, Glen M. Hocky
Charged colloids coated with a polymer brush can be designed to preferentially self-assemble into different crystal structures by varying easy-to-tune experimental conditions. For…
PACSim: A Flexible Simulation Framework for Polymer-Attenuated Coulombic Self-Assembly
Philipp Höllmer, Nicole Smina, John P. Marquardt +4
Polymer-Attenuated Coulombic Self-Assembly (PACS) is a flexible experimental approach for generating crystals from simple colloidal building blocks. The central components are char…
Stepping up enhanced rate calculations with EATR-flooding
Nicodemo Mazzaferro, Willmor J Pena Ccoa, Pilar Cossio +1
Several recent methods have shown that it is possible to compute rate constants of very slow biomolecular processes using simulations where a time-dependent bias is added along one…