Staff Dr. Frederik Heber

Mr. Heber is now at Universität des Saarlandes. This page is no longer maintained.

E-Mail: moc tod liamg ta rebeh tod kirederfa tod b@foo tod de

Completed Research Projects

Adaptive and robust multigrid methods for space time discretizations

Project C2, SFB 611.

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CODICE - Computationally Driven design of Innovative Cement-based materials

EU FP7.

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Cooperation with Asociacion CIC nanoGUNE - Self-Assembly

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Cooperation with Labein Centro Tecnologico, Bilbao, Spain

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Development of efficient algorithms for nanoscale dynamics simulations based on first principles methods

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ESPACK: A parallel electronic structure dynamics software package

Multiscale QM/MM simulations of the growth process and the material properties of inorganic nanotubes and nanotube composites

DFG priority program 1165.

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Parallel methods for short- and long-ranged potentials in Molecular Dynamics

ScaFaCoS - Scalable Fast Coulomb Solver

BMBF support program.

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TREMOLO - a parallel molecular dynamics software package

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Publications

  1. A bond order dissection ANOVA approach for efficient electronic structure calculations. M. Griebel, J. Hamaekers, and F. Heber. In Extraction of Quantifiable Information from Complex Systems, volume 102 of Lecture Notes in Computational Science and Engineering, pages 211–235. Springer, 2014. BibTeX PDF
  2. Ein systematischer, linear skalierender Fragmentansatz für das Elektronenstrukturproblem. F. Heber. Dissertation, Institut für Numerische Simulation, Universität Bonn, feb 2014. BibTeX PDF
  3. Computational 3D simulation of calcium leaching in cement matrices. J.J. Gaitero, J.S. Dolado, C. Neuen, F. Heber, and E. Koenders. In Proceedings of the Second International Conference on Microstructural-related Durability of Cementitious Composites, RILEM. 2012. Also available as INS Preprint no 1203. BibTeX PDF
  4. The nano-branched structure of cementitious calcium-silicate-hydrate gel. J. S. Dolado, M. Griebel, J. Hamaekers, and F. Heber. Journal of Materials Chemistry, 21:4445–4449, 2011. BibTeX PDF DOI Link
  5. BOSSANOVA - A bond order dissection approach for efficient electronic structure calculations. M. Griebel, J. Hamaekers, and F. Heber. Oberwolfach Report, 32:1804–1808, 2011. BibTeX DOI
  6. Biomolecules as soft matter surfaces. A. M. Bittner, F. Heber, and J. Hamaekers. Surface Science, 603:1922–1925, 2009. BibTeX DOI
  7. A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron-nitride nanotubes. M. Griebel, J. Hamaekers, and F. Heber. Computational Materials Science, 45(4):1097–1103, 2009. BibTeX PDF
  8. A molecular dynamics study on fullerene–implanted carbon nanotori as electronmagnetic sensing and emitting devices. M. Griebel and F. Heber. INS Preprint no 0912, 2009. BibTeX PDF
  9. BOSSANOVA: A bond order dissection approach for efficient electronic structure calculations. M. Griebel, J. Hamaekers, and F. Heber. INS Preprint 0704, Institut für Numerische Simulation, Universität Bonn, 2008. BibTeX PDF
  10. Dichtefunktionaltheorie mit elektromagnetischen Effekten und ihre Anwendung. F. Heber. Diplomarbeit, Institut für Numerische Simulation, Universität Bonn, nov 2006. BibTeX PDF