183 citations · 2.1k across the 63 of their papers we have counts for
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physics.comp-ph2022★ 3 cited
Sobolev Sampling of Free Energy Landscapes
Pablo F. Zubieta Rico, Juan J. de Pablo
A family of fast sampling methods is introduced here for molecular simulations of systems having rugged free energy landscapes. The methods represent a generalization of a strategy…
physics.comp-ph2021
Collective Variables for Free Energy Surface Tailoring -- Understanding and Modifying Functionality in Systems Dominated by Rare Events
Dan Mendels, Juan J. de Pablo
We introduce a method for elucidating and modifying the functionality of systems dominated by rare events that relies on the automated tuning of their underlying free energy surfac…
physics.comp-ph2016★ 17 cited
An O(N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles
Xikai Jiang, Jiyuan Li, Xujun Zhao +5
Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be ca…