J. McCarty

A variational conformational dynamics approach to the selection of collective variables in metadynamics

J. McCarty, Michele Parrinello · The Journal of Chemical Physics · 2017 · 134 citations · Full text

Engineering, Variational Conformational Dynamics, Computational Mechanics +20

An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale

J. McCarty, Abe Clark, Jeremy Copperman et al. · The Journal of Chemical Physics · 2014 · 74 citations · Full text

Thermodynamic Consistency in Variable-Level Coarse Graining of Polymeric Liquids

Abe Clark, J. McCarty, Ivan Lyubimov et al. · Physical Review Letters · 2012 · 59 citations · Full text

Materials Science, Rheological Constitutive Equation, Variable-level Coarse Graining +13

Variationally Optimized Free-Energy Flooding for Rate Calculation

J. McCarty, Ómar Valsson, Pratyush Tiwary et al. · Physical Review Letters · 2015 · 52 citations · Full text

Numerical Analysis, Rate Calculation, Engineering +23

Analytical rescaling of polymer dynamics from mesoscale simulations

Ivan Lyubimov, J. McCarty, Abram H. Clark et al. · The Journal of Chemical Physics · 2010 · 51 citations · Full text

Engineering, Mechanical Engineering, Fast Dynamics +16