Institute for
Numerical Simulation

Research Group
M. Griebel

Dipl.-Math. Ralf Wildenhues

Address:	Institut für Numerische Simulation Wegelerstr. 6 53115 Bonn Germany
Office:	We6 5.008
Phone:	+49 228 733178
E-Mail:	wildenhuesins.uni-bonn.de
PGP:	Key data

Former member of the institute

Now at Google (http://www.google.ch)

Research Interests

• Density functional theory using Gaussian basis functions.
  ESPACK: A parallel electronic structure dynamics software package.

  C6S8-α	C6S8-β	water cluster

• Dimension-adaptive sparse grids for the Schrödinger equation.
• Linear scaling methods for ab-initio models.
• Parallel methods for short- and long-ranged potentials in Molecular Dynamics.
• Parallel adaptive variable-order methods for long-ranged potentials in Molecular Dynamics.
  TREMOLO: A parallel molecular dynamics software package.
• NullMPI.

BPTI ribbon view	BPTI cartoon view	BPTI in water

Research Projects

	Cluster of Excellence: Hausdorff Center for Mathematics Project Area J: High-dimensional problems and multi-scale methods
	TREMOLO - a parallel molecular dynamics software package

Completed Research Projects

	BMBF support program: Mathematik für Innovationen in Industrie und Dienstleistungen ScaFaCoS - Scalable Fast Coulomb Solver
	DFG priority program 1165: Nanodrähte und Nanoröhren: von kontrollierter Synthese zur Funktion Multiscale QM/MM simulations of the growth process and the material properties of inorganic nanotubes and nanotube composites
	DFG priority program 1145: Modern and universal first-principles methods for many-electron systems in chemistry and physics A dimension-adaptive sparse grid method for the Schrödinger equation

Teaching

• SS 2010:
  Programmierpraktikum numerische Algorithmen - Partikelmethoden und gitterlose Diskretisierungen, module P2E1
  Laboratory with Prof. Dr. Michael Griebel, Dr. Jan Hamaekers and Dipl. Phys. Frederik Heber.
• SS 2010:
  Practical Lab Numerical Simulation - Particle methods and meshless discretizations, module P5E1
  Laboratory with Prof. Dr. Michael Griebel, Dr. Jan Hamaekers and Dipl. Phys. Frederik Heber.
• WS 2009/2010:
  Programmierpraktikum Numerische Methoden der Finanzmathematik, module P2E1
  Laboratory with Prof. Dr. Marc Alexander Schweitzer and Dr. Jürgen Braun.
• WS 2009/2010:
  Practical Lab Computational Finance, module P5E1
  Laboratory with Prof. Dr. Marc Alexander Schweitzer and Dr. Jürgen Braun.
• SS 2009:
  Graduate Seminar on Efficient Simulation, module S5E2
  Block seminar with Prof. Dr. Michael Griebel.
• WS 2008/2009:
  Mathematische Modellierung und Numerische Approximation von hochdimensionalen Problemen, module S2E2
  Seminar with Prof. Dr. Michael Griebel and Dr. Christian Feuersänger.
• WS 2008/2009:
  Practical Lab Numerical Simulation - Particle methods and meshless discretization, module P5E1
  Laboratory with Prof. Dr. Michael Griebel, Dr. Jan Hamaekers and Dipl. Phys. Frederik Heber.
• SS 2008:
  Der Fluch der Dimension im Data Mining und bei Zeitreihenvorhersagen (The curse of dimensionality in data mining and time series prediction), module S2E2
  Seminar with Prof. Dr. Michael Griebel.
• WS 2007/2008:
  Numerische Verfahren für hochdimensionale Daten und Probleme, module S4E1
  Seminar with Prof. Dr. Michael Griebel.
• SS 2007:
  Partikelmethoden und gitterlose Diskretisierung (Particle methods and meshless discretisations)
  Laboratory with Prof. Dr. Michael Griebel, Dr. Jan Hamaekers and Dr. Lukas Jager.
• WS 2005/2006:
  Numerische Simulation in der Moleküldynamik (Numerical Simulation in Molecular Dynamics)
  Laboratory with Prof. Dr. Thomas Gerstner, Prof. Dr. Michael Griebel and Dr. Jan Hamaekers.
• SS 2004:
  Partikelmethoden und gitterlose Diskretisierungen (Particle methods and meshless discretizations)
  Laboratory with Prof. Dr. Michael Griebel, Dr. Jan Hamaekers and Dr. Lukas Jager.
• WS 2003/2004:
  Numerische Verfahren für die Behandlung der Schrödingergleichung (Numerical methods for the Schrödinger equation)
  Seminar with Prof. Dr. Michael Griebel.

Publications

[1]	M. Griebel, J. Hamaekers, and R. Wildenhues. Molecular dynamics simulations of the influence of chemical cross-links on the elastic moduli of polymer-carbon nanotube composites. In J. Sanchez, editor, Proceedings 1st Nanoc-Workshop, LABEIN, Bilbao, Spain, 2005. Also as INS Preprint No. 0503. [ bib | .pdf 1 ]
[2]	R. Wildenhues. Implementierung einer Dichtefunktionalmethode mit Gauß-Funktionen. Diplomarbeit, Institut für Angewandte Mathematik, Universität Bonn, Bonn, Germany, 2002. [ bib | .pdf 1 ]