Institute for
Numerical Simulation

Research Group
M. Griebel

Dipl. Phys. Frederik Heber

Address:	Institut für Numerische Simulation Wegelerstr. 6 53115 Bonn Germany
Office:	We6 5.011
Phone:	+49 228 733866
E-Mail:	heberins.uni-bonn.de
PGP:	Key data
PGP Key Id:	0xBB4590BB
Key fingerprint:	B514 0B48 7788 8990 4B75 F1E3 961F 20A4 BB45 90BB

Research Projects

	BMBF support program: Mathematik für Innovationen in Industrie und Dienstleistungen ScaFaCoS - Scalable Fast Coulomb Solver
	Cluster of Excellence: Hausdorff Center for Mathematics Project Area J: High-dimensional problems and multi-scale methods
	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
	EU: FP7 - Nanosciences, Nanotechnologies, Materials and new Production Technologies CODICE - Computationally Driven design of Innovative Cement-based materials
	SFB 611: Singular phenomena and scaling in mathematical models Project C2: Adaptive and robust multigrid methods for space time discretizations
	Cooperation with Asociacion CIC nanoGUNE - Self-Assembly
	Cooperation with Labein Centro Technologico, Bilbao, Spain
	Development of efficient algorithms for nanoscale dynamics simulations based on first principles methods ESPACK: A parallel electronic structure dynamics software package
	Molecular Dynamics Simulations for Material Science Applications
	Parallel methods for short- and long-ranged potentials in Molecular Dynamics
	TREMOLO - a parallel molecular dynamics software package

Teaching

• 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. Math. Ralf Wildenhues.

Publications

[1]	A. M. Bittner, F. Heber, and J. Hamaekers. Biomolecules as soft matter surfaces. Surface Science, 603:1922-1925, 2009. [ bib | DOI | http ]
[2]	M. Griebel, J. Hamaekers, and F. Heber. BOSSANOVA: A bond order dissection approach for efficient electronic structure calculations. SIAM: Multiscale Journal, 2009. submitted. Also available as INS Preprint no 0903. [ bib | .pdf 1 ]
[3]	M. Griebel, J. Hamaekers, and F. Heber. A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron-nitride nanotubes. Computational Materials Science, 45(4):1097-1103, 2009. [ bib | .pdf 1 ]
[4]	M. Griebel and F. Heber. A molecular dynamics study on fullere-implanted carbon nanotori as electronmagnetic sensing and emitting devices. Physica status solidi (c), Proceedings for Trends in Nanotechnology 2009, 2009. submitted. Also available as INS Preprint no 0912. [ bib | .pdf 1 ]
[5]	M. Griebel, J. Hamaekers, and F. Heber. BOSSANOVA: A bond order dissection approach for efficient electronic structure calculations. INS Preprint 0704, Institut für Numerische Simulation, Universität Bonn, Jan. 2008. [ bib | .pdf 1 ]
[6]	F. Heber. Dichtefunktionaltheorie mit elektromagnetischen Effekten und ihre Anwendung. Diplomarbeit, Institut für Numerische Simulation, Universität Bonn, Nov. 2006. [ bib | .pdf 1 ]

Talks

Conference contributions

[1]	Simulating C-S-H gels with TREMOLO - The CODICE Project, Challenges and promises of multi-scale modelling schemes for cementitious materials, Labein, Spain, March 2-4, 2009.
[2]	BOSSANOVA - A bond order dissection approach for efficient electronic structure calculations, MMM-2008 - Fourth International Conference on Multiscale Materials Modeling, Tallahassee, Florida, USA, October 27-31, 2008.
[3]	BOSSANOVA - A bond order dissection approach for efficient electronic structure calculations, ICCES08 - 15th International Conference on Computational & Experimental Engineering and Sciences, Honolulu, Hawaii, USA, March 17-22, 2008.
[4]	Properties of Inorganic Nanomaterials Derived from Numerical Simulations, Doktoranden-Workshop, Schwerpunktprogramm 1165, Norderney, August 20-24, 2007.
[5]	Multiscale QM/MM simulations of growth process and the material properties of inorganic nanotubes and nanotube composites, SPP1165 2. Zwischenkolloquium, Fulda, May 29-31, 2007.

Other Talks

[1]	A Bond Order Dissection Approach For Efficient Electronic Structure Calculations, 6. Leipzig-Berlin Numerikseminar, MPI Leipzig, March 18, 2009.
[2]	Large Scale Molecular Dynamics Simulation with Applications to Molecular Biology, Seminar in CIC NanoGUNE, Donostia-San-Sebastian, Spain, March 6, 2009.