Author pages are created from data sourced from our academic publisher partnerships and public sources.
- Publications
- Influence
ESPResSo - an extensible simulation package for research on soft matter systems
- Hans-Jörg Limbach, A. Arnold, Bernward Mann, C. Holm
- Computer Science
- Comput. Phys. Commun.
- 1 May 2006
TLDR
ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models
TLDR
Harvesting graphics power for MD simulations
- J.A. van Meel, A. Arnold, D. Frenkel, S.F. Portegies Zwart, R.G. Belleman
- Computer Science, Physics
- 20 September 2007
TLDR
A novel method for calculating electrostatic interactions in 2D periodic slab geometries
Abstract We present a new method to accurately calculate the electrostatic energy and forces on charges being distributed in a two-dimensional periodic array of finite thickness. We transform the… Expand
Quantum chemistry calculations for molecules coupled to reservoirs: formalism, implementation, and application to benzenedithiol.
- A. Arnold, F. Weigend, F. Evers
- Chemistry, Medicine
- The Journal of chemical physics
- 1 May 2007
Modern quantum chemistry calculations are usually implemented for isolated systems-big molecules or atom clusters; total energy and particle number are fixed. However, in many situations, like… Expand
Attraction and Ionic Correlations between Charged Stiff Polyelectrolytes
- M. Deserno, A. Arnold, C. Holm
- Chemistry, Physics
- 10 June 2002
We use molecular dynamics simulations to study attractive interactions and the underlying ionic correlations between parallel like-charged rods in the absence of additional salt. For a generic bulk… Expand
ESPResSo++: A modern multiscale simulation package for soft matter systems
- Jonathan D. Halverson, T. Brandes, +6 authors D. Reith
- Computer Science
- Comput. Phys. Commun.
- 1 April 2013
TLDR
Electrostatics in periodic slab geometries. II
- J. D. Joannis, A. Arnold, C. Holm
- Chemistry, Physics
- 22 February 2002
We propose a new method to sum up electrostatic interactions in two-dimensional (2D) slab geometries. It consists of a combination of two recently proposed methods: the 3D Ewald variant of Yeh and… Expand
MMM2D: A fast and accurate summation method for electrostatic interactions in 2D slab geometries
We present a new method, in the following called MMM2D, to accurately calculate the electrostatic energy and forces on charges being distributed in a two dimensional periodic array of finite… Expand
Comparison of scalable fast methods for long-range interactions.
- A. Arnold, Florian Fahrenberger, +12 authors G. Sutmann
- Computer Science, Medicine
- Physical review. E, Statistical, nonlinear, and…
- 19 December 2013
TLDR