Difference between revisions of "Dominic Röhm"

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== Diploma Thesis ==
 
== Diploma Thesis ==
 
=== Lattice-Boltzmann-Simulations on GPUs ===
 
=== Lattice-Boltzmann-Simulations on GPUs ===
I am writing my diploma theses about Lattice-Boltzmann theory (D3Q19)
+
In coarse-grained Molecular dynamics (MD) simulations of large macromolecules, the number of solvent molecules is normally so large that most of the computation time is spent on the solvent. For this reason one is interested in replacing the solvent by a lattice fluid using the Lattice-Boltzmann (LB) method. The LB method is well known and on large length and
for simulating particles within a thermal solvent with usage of
+
timescales it leads to a hydrodynamic flow field that satisfies the Navier-Stokes equation. If the lattice fluid should be coupled to a conventional MD simulation of the coarse-grained particles, it is necessary to thermalize the fluid. While the MD particles are easily coupled via friction terms to the fluid, the correct thermalization of the lattice fluid requires to switch into mode space, which makes thermalized LB more complex and computationally expensive.
several boundary conditions. For this reason the use of the
+
However, the LB method is particularly well suited for the highly parallel architecture of graphics processors (GPUs). I am working on a fully thermalized GPU-LB implementation which is coupled to a MD that is running on a conventional CPU using the simulation package ESPResSo [http://www.espressomd.org]. This implementation is on a single NVIDIA GTX480 about 50 times faster than on a recent AMD Athlon IIX4 quadcore, therefore replacing a full compute rack by a single desktop PC with a highend graphics card.
multiple-relaxation-time lattice Boltzmann model is required to
 
include thermal fluctuations. Our Institute is focused on dynamic simulation of systems
 
with large particle numbers.  To handle large particle numbers one has
 
to generate and use massively parallel software. Due to this, the goal
 
of my diploma thesis is to create a massively parallel Lattice
 
Boltzmann solver which uses the advantages of modern GPUs. This code
 
will be implemented into the ESPResSo code, and will be able to couple
 
the MD particles to the LB fluid. With ESPResSo one is able to simulate
 
the behavior of charged (el. or mag.) particles or polymers within a
 
solvent.
 
  
 
== Publications ==
 
== Publications ==

Revision as of 16:02, 30 November 2010

Dominic Röhm
Diploma student
Office:210
Phone:+49 711 685-63594
Fax:+49 711 685-63658
Email:Dominic.Roehm _at_ icp.uni-stuttgart.de
Address:Dominic Röhm
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany

Diploma Thesis

Lattice-Boltzmann-Simulations on GPUs

In coarse-grained Molecular dynamics (MD) simulations of large macromolecules, the number of solvent molecules is normally so large that most of the computation time is spent on the solvent. For this reason one is interested in replacing the solvent by a lattice fluid using the Lattice-Boltzmann (LB) method. The LB method is well known and on large length and timescales it leads to a hydrodynamic flow field that satisfies the Navier-Stokes equation. If the lattice fluid should be coupled to a conventional MD simulation of the coarse-grained particles, it is necessary to thermalize the fluid. While the MD particles are easily coupled via friction terms to the fluid, the correct thermalization of the lattice fluid requires to switch into mode space, which makes thermalized LB more complex and computationally expensive. However, the LB method is particularly well suited for the highly parallel architecture of graphics processors (GPUs). I am working on a fully thermalized GPU-LB implementation which is coupled to a MD that is running on a conventional CPU using the simulation package ESPResSo [1]. This implementation is on a single NVIDIA GTX480 about 50 times faster than on a recent AMD Athlon IIX4 quadcore, therefore replacing a full compute rack by a single desktop PC with a highend graphics card.

Publications

Curriculum vitae

Scientific education

Oct. 2005 - ... (May. 2011) Studies of Physics at the University of Stuttgart