322 citations
- Max Planck SocietyDE23 papers
- Chinese University of Hong KongHK7 papers
- Bulgarian Academy of SciencesBG6 papers
- Centre National de la Recherche ScientifiqueFR3 papers
- Frankfurt Institute for Advanced StudiesDE3 papers
- Goethe University FrankfurtDE3 papers
- Delft University of TechnologyNL2 papers
- Instituto Politécnico de LisboaPT2 papers
- Universidade Estadual de Campinas (UNICAMP)BR2 papers
- Universidad Nacional Autónoma de MéxicoMX2 papers
- University of FloridaUS2 papers
- University of LisbonPT2 papers
17 papers · 1 filter
Simulation of charge reversal in salty environments: Giant overcharging?
Olaf Lenz, Christian Holm
We have performed MD simulations of a highly charged colloid in a solution of 3:1 and additional 1:1 salt. The dependency of the colloid's inverted charge on the concentration of t…
Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles
Christoph Junghans, Michael Bachmann, Wolfhard Janke
We employ a mesoscopic model for studying aggregation processes of protein-like hydrophobic-polar heteropolymers. By means of multicanonical Monte Carlo computer simulations, we fi…
Adsorption of Multi-block and Random Copolymer on a Solid Surface: Critical Behavior and Phase Diagram
Swati Bhattacharya, Hsiao-Ping Hsu, Andrey Milchev +2
The adsorption of a single multi-block -copolymer on a solid planar substrate is investigated by means of computer simulations and scaling analysis. It is shown that the proble…
The design of Kinetic Functionals for Many-Body Electron Systems : Combining analytical theory with Monte Carlo sampling of electronic configurations
Luca M. Ghiringhelli, Luigi Delle Site
In a previous work [L.Delle Site, J.Phys.A 40, 2787 (2007)] the derivation of an analytic expression for the kinetic functional of a many-body electron system has been proposed. Th…
Some fundamental problems for an energy conserving adaptive resolution molecular dynamics scheme
L. Delle Site
Adaptive resolution molecular dynamics (MD) schemes allow for changing the number of degrees of freedom on the fly and preserve the free exchange of particles between regions of di…
Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat
Christoph Junghans, Matej Praprotnik, Kurt Kremer
We introduce a variation of the dissipative particle dynamics (DPD) thermostat that allows for controlling transport properties of molecular fluids. The standard DPD thermostat act…