Axel Kohlmeyer
Axel Kohlmeyer
Assistant Dean for HPC, College of Science and Technology, Temple University
Email verificata su temple.edu - Home page
Titolo
Citata da
Citata da
Anno
X-ray diffraction and computation yield the structure of alkanethiols on gold (111)
A Cossaro, R Mazzarello, R Rousseau, L Casalis, A Verdini, A Kohlmeyer, ...
Science 321 (5891), 943-946, 2008
3192008
Implementing molecular dynamics on hybrid high performance computers–Particle–particle particle-mesh
WM Brown, A Kohlmeyer, SJ Plimpton, AN Tharrington
Computer Physics Communications 183 (3), 449-459, 2012
2642012
Free energy landscape of a DNA− carbon nanotube hybrid using replica exchange molecular dynamics
RR Johnson, A Kohlmeyer, ATC Johnson, ML Klein
Nano Letters 9 (2), 537-541, 2009
1812009
Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming
BG Levine, JE Stone, A Kohlmeyer
Journal of computational physics 230 (9), 3556-3569, 2011
1642011
LAMMPS molecular dynamics simulator
S Plimpton, A Thompson, P Crozier, A Kohlmeyer
http://lammps. sandia. gov, 2011
962011
Temperature-dependent conformational transitions and hydrogen-bond dynamics of the elastin-like octapeptide GVG (VPGVG): a molecular-dynamics study
R Rousseau, E Schreiner, A Kohlmeyer, D Marx
Biophysical journal 86 (3), 1393-1407, 2004
772004
Folding and unfolding of an elastinlike oligopeptide:“inverse temperature transition,” reentrance, and hydrogen-bond dynamics
E Schreiner, C Nicolini, B Ludolph, R Ravindra, N Otte, A Kohlmeyer, ...
Physical review letters 92 (14), 148101, 2004
752004
Micellization studied by GPU-accelerated coarse-grained molecular dynamics
BG Levine, DN LeBard, R DeVane, W Shinoda, A Kohlmeyer, ML Klein
Journal of Chemical Theory and Computation 7 (12), 4135-4145, 2011
742011
Hybrid parallelization of the LIGGGHTS open-source DEM code
R Berger, C Kloss, A Kohlmeyer, S Pirker
Powder technology 278, 234-247, 2015
522015
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
A Kohlmeyer, W Witschel, E Spohr
Chemical physics 213 (1-3), 211-216, 1996
491996
Reconsidering dispersion potentials: Reduced cutoffs in mesh-based Ewald solvers can be faster than truncation
RE Isele-Holder, W Mitchell, JR Hammond, A Kohlmeyer, AE Ismail
Journal of chemical theory and computation 9 (12), 5412-5420, 2013
452013
Immersive molecular visualization and interactive modeling with commodity hardware
JE Stone, A Kohlmeyer, KL Vandivort, K Schulten
International Symposium on Visual Computing, 382-393, 2010
452010
Probing peptide nanotube self-assembly at a liquid− liquid interface with coarse-grained molecular dynamics
E Khurana, RH DeVane, A Kohlmeyer, ML Klein
Nano letters 8 (11), 3626-3630, 2008
392008
Inverse temperature transition of a biomimetic elastin model: reactive flux analysis of folding/unfolding and its coupling to solvent dielectric relaxation
M Baer, E Schreiner, A Kohlmeyer, R Rousseau, D Marx
The Journal of Physical Chemistry B 110 (8), 3576-3587, 2006
352006
Orientational correlations near interfaces. Computer simulations of water and electrolyte solutions in confined environments
A Kohlmeyer, C Hartnig, E Spohr
Journal of molecular liquids 78 (3), 233-253, 1998
351998
First principles calculation of phonon dispersion, thermodynamic properties and B 1-to-B 2 phase transition of lighter alkali hydrides
W Yu, C Jin, A Kohlmeyer
Journal of Physics: Condensed Matter 19 (8), 086209, 2007
322007
Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections
S Balasubramanian, A Kohlmeyer, ML Klein
The Journal of chemical physics 131 (14), 144506, 2009
312009
Carbon monoxide reaction with single crystal surfaces: A theoretical and experimental study
SD Senanayake, A Soon, A Kohlmeyer, T Shnel, H Idriss
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 23 (4…, 2005
292005
TopoGromacs: Automated topology conversion from CHARMM to GROMACS within VMD
JV Vermaas, DJ Hardy, JE Stone, E Tajkhorshid, A Kohlmeyer
Journal of chemical information and modeling 56 (6), 1112-1116, 2016
282016
Molecular dynamics simulations and neutron reflectivity as an effective approach to characterize biological membranes and related macromolecular assemblies
L Darr, J Iglesias-Fernandez, A Kohlmeyer, H Wacklin, C Domene
Journal of chemical theory and computation 11 (10), 4875-4884, 2015
182015
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–20