Axel Kohlmeyer: search on Z-Library

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1

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

Benjamin G. Levine, John E. Stone, Axel Kohlmeyer

Journal:

Journal of Computational Physics

Year:

2011

Language:

english

File:

PDF, 880 KB

english, 2011

2

TopoGromacs: Automated Topology Conversion from CHARMM to Gromacs within VMD

Vermaas, Josh V., Hardy, David Joseph, Stone, John E., Tajkhorshid, Emad, Kohlmeyer, Axel

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 652 KB

english, 2016

3

Computer simulations of electrochemical systems

Philippe A Bopp, Axel Kohlmeyer, Eckhard Spohr

Journal:

Electrochimica Acta

Year:

1998

Language:

english

File:

PDF, 388 KB

english, 1998

4

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

W. Michael Brown, Axel Kohlmeyer, Steven J. Plimpton, Arnold N. Tharrington

Journal:

Computer Physics Communications

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

5

Self-Assembly of Charged Surfactants: Full Comparison of Molecular Simulations and Scattering Experiments

Jusufi, Arben, Kohlmeyer, Axel, Sztucki, Michael, Narayanan, Theyencheri, Ballauff, Matthias

Journal:

Year:

2012

Language:

english

File:

PDF, 455 KB

english, 2012

6

Folding and Unfolding of an Elastinlike Oligopeptide: “Inverse Temperature Transition,” Reentrance, and Hydrogen-Bond Dynamics

Schreiner, Eduard, Nicolini, Chiara, Ludolph, Björn, Ravindra, Revanur, Otte, Nikolaj, Kohlmeyer, Axel, Rousseau, Roger, Winter, Roland, Marx, Dominik

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 136 KB

english, 2004

7

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

Isele-Holder, Rolf E., Mitchell, Wayne, Hammond, Jeff R., Kohlmeyer, Axel, Ismail, Ahmed E.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.00 MB

english, 2013

8

Free Energy Landscape of a DNA−Carbon Nanotube Hybrid Using Replica Exchange Molecular Dynamics

Johnson, Robert R., Kohlmeyer, Axel, Johnson, A. T. Charlie, Klein, Michael L.

Journal:

Year:

2009

Language:

english

File:

PDF, 828 KB

english, 2009

9

Probing Peptide Nanotube Self-Assembly at a Liquid−Liquid Interface with Coarse-Grained Molecular Dynamics

Khurana, Ekta, DeVane, Russell H., Kohlmeyer, Axel, Klein, Michael L.

Journal:

Year:

2008

Language:

english

File:

PDF, 2.21 MB

english, 2008

10

Inverse Temperature Transition of a Biomimetic Elastin Model: Reactive Flux Analysis of Folding/Unfolding and Its Coupling to Solvent Dielectric Relaxation †

Baer, Marcel, Schreiner, Eduard, Kohlmeyer, Axel, Rousseau, Roger, Marx, Dominik

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 358 KB

english, 2006

11

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

Yu, Wen, Jin, Changqing, Kohlmeyer, Axel

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 381 KB

english, 2007

12

Temperature-Dependent Conformational Transitions and Hydrogen-Bond Dynamics of the Elastin-Like Octapeptide GVG(VPGVG): A Molecular-Dynamics Study

Rousseau, Roger, Schreiner, Eduard, Kohlmeyer, Axel, Marx, Dominik

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 460 KB

english, 2004

13

Long-range Structures in Bulk Water. A Molecular Dynamics Study

Kohlmeyer, Axel, Witschel, Wolfgang, Spohr, Eckhard

Journal:

Zeitschrift für Naturforschung A

Year:

1997

Language:

english

File:

PDF, 2.64 MB

english, 1997

14

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

Balasubramanian, Sundaram, Kohlmeyer, Axel, Klein, Michael L.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 399 KB

english, 2009

15

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

Axel Kohlmeyer, Wolfgang Witschel, Eckhard Spohr

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 461 KB

english, 1996

16

Surfactin at the Water/Air Interface and in Solution

Iglesias-Fernández, Javier, Darré, Leonardo, Kohlmeyer, Axel, Thomas, Robert K., Shen, Hsin-Hui, Domene, Carmen

Journal:

Year:

2015

Language:

english

File:

PDF, 1.77 MB

english, 2015

17

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

Axel Kohlmeyer, Christoph Hartnig, Eckhard Spohr

Journal:

Journal of Molecular Liquids

Year:

1998

Language:

english

File:

PDF, 1.11 MB

english, 1998

18

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

Levine, Benjamin G., LeBard, David N., DeVane, Russell, Shinoda, Wataru, Kohlmeyer, Axel, Klein, Michael L.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.10 MB

english, 2011

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