Search Results - "Sutmann, G"

Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations by Huang, C.C., Chatterji, A., Sutmann, G., Gompper, G., Winkler, R.G.

“…A local Maxwellian thermostat for the multiparticle collision dynamics algorithm is proposed. The algorithm is based on a scaling of the relative velocities of…”
Get full text

Tumbling of polymers in semidilute solution under shear flow by Huang, C.-C, Sutmann, G, Gompper, G, Winkler, R. G

“…The tumbling dynamics of individual polymers in semidilute solution is studied by large-scale non-equilibrium mesoscale hydrodynamic simulations. We find that…”
Get full text

Towards blood flow in the virtual human: efficient self-coupling of HemeLB by McCullough, J W S, Richardson, R A, Patronis, A, Halver, R, Marshall, R, Ruefenacht, M, Wylie, B J N, Odaker, T, Wiedemann, M, Lloyd, B, Neufeld, E, Sutmann, G, Skjellum, A, Kranzlmüller, D, Coveney, P V

“…Many scientific and medical researchers are working towards the creation of a virtual human-a personalized digital copy of an individual-that will assist in a…”
Get full text

Optimization of neighbor list techniques in liquid matter simulations by Sutmann, G., Stegailov, V.

“…The performance of neighbor list techniques in molecular dynamics simulations depends on a variety of parameters, which may be adjusted for maximum efficiency…”
Get full text

Parallel Brownian dynamics simulations with the message-passing and PGAS programming models by Teijeiro, C., Sutmann, G., Taboada, G.L., Touriño, J.

“…The simulation of particle dynamics is among the most important mechanisms to study the behavior of molecules in a medium under specific conditions of…”
Get full text

Phase behavior of columnar DNA assemblies by Harreis, H M, Kornyshev, A A, Likos, C N, Löwen, H, Sutmann, G

“…The interaction between two stiff parallel DNA molecules depends not only on the distance between their axes but also on their azimuthal orientation. The…”
Get full text

Compact finite difference schemes of sixth order for the Helmholtz equation by Sutmann, Godehard

“…New compact finite difference schemes of sixth order are derived for the three dimensional Helmholtz equation, Δ u - κ 2 u = - f . Convergence characteristics…”
Get full text

Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle by Sutmann, G., Steffen, B.

“…The friction coefficient of a fixed Brownian particle is calculated via an integration of the force-autocorrelation function obtained from molecular dynamics…”
Get full text

Viscous versus Elastic Response of Hydrogen-Bonded Liquids: Collective Dynamics in HF by Bertolini, D., Sutmann, G., Tani, A., Vallauri, R.

Get full text

Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres by Ganesan, H., Teijeiro, C., Sutmann, G.

“…[Display omitted] Low carbon steels undergo strain aging when heat treated, which causes an increased yield strength that can be observed macroscopically. Such…”
Get full text

“Overscreening” in a polar liquid as a result of coupling between polarization and density fluctuations by Kornyshev, A.A., Leikin, S., Sutmann, G.

“…Static nonlocal dielectric response of a polar liquid with linearly coupled polarization and density fluctuations is studied. We use a simple quadratic…”
Get full text

Analysis of single-molecule dynamics in liquid HF by Balucani, U., Garberoglio, G., Sutmann, G., Vallauri, R.

“…The center-of-mass velocity autocorrelation function of liquid HF is examined by means of a velocity field approach, originally developed for monatomic liquids…”
Get full text

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations by Teijeiro, C., Hammerschmidt, T., Drautz, R., Sutmann, G.

“…Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous…”
Get full text

Dynamical properties of hydrogen bonded liquids by Garberoglio, G., Pasqualini, F., Sutmann, G., Vallauri, R.

“…We present computer simulation results for the spectra of collective quantities of hydrogen bonded systems which present a different degree of hydrogen bond…”
Get full text

Nonlocal dielectric function of water: How strong are the effects of intramolecular charge form factors? by Kornyshev, A.A., Sutmann, G.

“…We study the effect of continuous electronic charge distributions in molecular models on the nonlocal dielectric response function of water. We show that,…”
Get full text

Generation of mass loss in K giants: The failure of global oscillation modes and possible implications by Sutmann, G., Cuntz, M.

Get full text

Time and length scales for diffusion in liquids by Berezhkovskii, A M, Sutmann, G

“…The first six even moments of the displacement of a molecule in water and an atom in liquid argon are found by molecular dynamics simulations and compared with…”
Get full text

High-order compact solvers for the three-dimensional Poisson equation by Sutmann, Godehard, Steffen, Bernhard

“…New compact approximation schemes for the Laplace operator of fourth- and sixth-order are proposed. The schemes are based on a Padé approximation of the Taylor…”
Get full text

Structure formation and dynamics of water in strong external electric fields by Sutmann, Godehard

Get full text

A particle–particle particle-multigrid method for long-range interactions in molecular simulations by Sutmann, Godehard, Steffen, Bernhard

“…A fast method of order O ( N ) is proposed to calculate interaction energies and forces in molecular systems with open boundaries, exerted by long range…”
Get full text