A. Kohlmeyer

发表

Free energy landscape of a DNA-carbon nanotube hybrid using replica exchange molecular dynamics.

Axel Kohlmeyer, Michael L Klein, M. Klein, 2009, Nano letters.

Computer simulations of electrochemical systems

A. Kohlmeyer, P. Bopp, E. Spohr, 1998 .

Self-assembly of charged surfactants: full comparison of molecular simulations and scattering experiments.

T. Narayanan, M. Ballauff, A. Kohlmeyer, 2012, Langmuir : the ACS journal of surfaces and colloids.

Surfactin at the Water/Air Interface and in Solution.

C. Domene, J. Iglesias-Fernández, A. Kohlmeyer, 2015, Langmuir : the ACS journal of surfaces and colloids.

Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model

A. Kohlmeyer, E. Spohr, W. Witschel, 1996 .

Molecular dynamics simulations and neutron reflectivity as an effective approach to characterize biological membranes and related macromolecular assemblies.

C. Domene, J. Iglesias-Fernández, H. Wacklin, 2015, Journal of chemical theory and computation.

LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Steven J. Plimpton, Trung Dac Nguyen, Hasan Metin Aktulga, 2021, Computer Physics Communications.

Orientational correlations near interfaces. Computer simulations of water and electrolyte solutions in confined environments

A. Kohlmeyer, C. Hartnig, E. Spohr, 1998 .

Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections.

M. Klein, S. Balasubramanian, A. Kohlmeyer, 2009, The Journal of chemical physics.

First principles calculation of phonon dispersion, thermodynamic properties and B 1-to-B 2 phase transition of lighter alkali hydrides

A. Kohlmeyer, C. Jin, Wen Yu, 2007 .

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics.

Wataru Shinoda, David N LeBard, Benjamin G Levine, 2011, Journal of chemical theory and computation.

Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh

Steven J. Plimpton, Arnold N. Tharrington, W. Michael Brown, 2012, Comput. Phys. Commun..

TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD

John E. Stone, David J. Hardy, Axel Kohlmeyer, 2016, J. Chem. Inf. Model..

Fast analysis of molecular dynamics trajectories with graphics processing units - Radial distribution function histogramming

John E. Stone, Axel Kohlmeyer, Benjamin G. Levine, 2011, J. Comput. Phys..

Temperature-dependent conformational transitions and hydrogen-bond dynamics of the elastin-like octapeptide GVG(VPGVG): a molecular-dynamics study.

D. Marx, R. Rousseau, E. Schreiner, 2004, Biophysical journal.

Hybrid parallelization of the LIGGGHTS open-source DEM code

Stefan Pirker, Christoph Kloss, Axel Kohlmeyer, 2015 .

Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation.

Rolf E. Isele-Holder, Wayne Mitchell, Axel Kohlmeyer, 2013, Journal of chemical theory and computation.

Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamics.

Axel Kohlmeyer, Michael L Klein, Ekta Khurana, 2008, Nano letters.

TopoTools: Release 1.6 with CHARMM export in topogromacs

Axel Kohlmeyer, Josh V. Vermaas, A. Kohlmeyer, 2016 .

Inverse temperature transition of a biomimetic elastin model: reactive flux analysis of folding/unfolding and its coupling to solvent dielectric relaxation.

D. Marx, R. Rousseau, E. Schreiner, 2006, The journal of physical chemistry. B.