Showing 1–20 of 86 results
/ Date/ Name
Sep 9, 2008Quantitative Study of Polymer Dynamics Through Hierarchical Multi-scale Dynamic SimulationsJul 28, 2014Statistical Mechanics of Hamiltonian Adaptive Resolution SimulationsDec 12, 2002Polyelectrolyte Multilayering on a Charged SphereDec 9, 1998Polyelectrolytes in Solution - Recent Computer SimulationsFeb 22, 2018Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense FluidsFeb 17, 2005Efficient tunable generic model for fluid bilayer membranesJun 8, 2017In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean forceFeb 11, 2016Consistent interpretation of molecular simulation kinetics using Markov state models biased with external informationSep 30, 2016Depleted Depletion Drives Polymer Swelling in Poor Solvent MixturesNov 2, 2016A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding siteOct 24, 2016Equilibration of High Molecular-Weight Polymer Melts: A Hierarchical StrategyMay 16, 2025Structure and dynamics of ionic liquids under shear flowJan 10, 2007A Macromolecule in a Solvent: Adaptive Resolution Molecular Dynamics SimulationOct 6, 2017Efficient potential of mean force calculation from multiscale simulations: solute insertion in a lipid membraneJan 28, 2002Like-Charge Colloid-Polyelectrolyte ComplexationFeb 1, 2024Roadmap on Data-Centric Materials ScienceDec 16, 2014Computational studies of biomembrane systems: Theoretical considerations, simulation models, and applicationsSep 3, 2007Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostatNov 25, 2022Data-driven identification and analysis of the glass transition in polymer meltsJun 2, 2023Glass transition temperature of thin polymer films