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ESPResSo - an extensible simulation package for research on soft matter systems
We describe a new program package that is designed to perform numerical Molecular Dynamics (MD) and Monte Carlo (MC) simulations for a broad class of soft matter systems in a parallel computing environment. Expand
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How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines
We present a unified view of the underlying techniques and the various ingredients which comprise those routines and also show that the existing methods — although similar in spirit — exhibit remarkable differences in accuracy. Expand
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ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models
ESPResSo is a package for Molecular Dynamics (MD) simulations of coarse-grained models of charged systems with implicit water models. Expand
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Advanced Computer Simulation Approaches for Soft Matter Sciences III
Dunweg et al.: Lattice Boltzmann Simulations for Soft Matter Systems.- Kroll, Gomper et al.: Direct Particle Collosion Methods for Polymers and Membranes.- Eveaers, Grest, Kremer: Entangled Melts andExpand
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Molecular dynamics study on the equilibrium magnetization properties and structure of ferrofluids.
We investigate in detail the initial susceptibility, magnetization curves, and microstructure of ferrofluids in various concentration and particle dipole moment ranges by means of molecular dynamicsExpand
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Electrostatic effects in soft matter and biophysics
Preface. List of Participants. Structure and dynamic properties of membrane lipid and protein M. Caffrey. Cell model and Poisson-Boltzmann theory: A brief introduction M. Deserno, C. Holm. DNAExpand
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Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions
We use hybrid molecular dynamics/Monte Carlo simulations and coarse-grained polymer models to study the swelling of polyelectrolyte gels in salt solutions. Besides existing industrial applications,Expand
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Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.
We construct an accurate error estimate for the root mean square force error of the smooth particle mesh Ewald (SPME) algorithm, which is often used for molecular dynamics simulations, where chargeExpand
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Structure and magnetic properties of polydisperse ferrofluids: a molecular dynamics study.
  • Zuowei Wang, C. Holm
  • Materials Science, Medicine
  • Physical review. E, Statistical, nonlinear, and…
  • 2 October 2003
We study by Langevin molecular dynamics simulations systematically the influence of polydispersity in the particle size, and subsequently in the dipole moment, on the physical properties ofExpand
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