Head of Business Area Virtual Material Design
Fraunhofer Institute for Algorithms and Scientific Computing SCAI
Schloss Birlinghoven 1
53757 Sankt Augustin
Germany
Phone: +49 2241 14-4230
Head of Business Area Virtual Material Design
Fraunhofer Institute for Algorithms and Scientific Computing SCAI
Schloss Birlinghoven 1
53757 Sankt Augustin
Germany
Phone: +49 2241 14-4230
J. Hamaekers.
Sparse Grids for the Electronic Schrödinger Equation: Construction and Application of Sparse Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for Schrödinger's Equation.
Südwestdeutscher Verlag für Hochschulschriften, Saarbrücken, 2010.
J. Barker and G. Bollerhey and J. Hamaekers
A Multilevel Approach to the Evolutionary Generation of Polycrystalline Structures.
Computational Materials Science, 114:54-63, 2016.
[bib]
C. Diedrich, D. Dijkstra, J. Hamaekers, B. Henninger, and M. Randrianarivony
A finite element study on the effect of curvature on the reinforcement of matrices by randomly distributed and curved nanotubes.
Journal of Computational and Theoretical Nanoscience, 12: 2108-2116, 2015.
M. Griebel, J. Hamaekers, and F. Heber.
A bond order dissection ANOVA approach for efficient electronic structure calculations.
In Extraction of Quantifiable Information from Complex Systems, volume 102 of Lecture Notes in Computational Science and Engineering, pages 211-235. Springer, 2014.
M. Griebel and J. Hamaekers.
Fast discrete Fourier transform on generalized sparse grids.
In Sparse grids and Applications, volume 97 of Lecture Notes in Computational Science and Engineering, pages 75-108. Springer, 2014.
J. S. Dolado, M. Griebel, J. Hamaekers, and F. Heber.
The nano-branched structure of cementitious calcium-silicate-hydrate gel.
Journal of Materials Chemistry, 21:4445-4449, 2011.
M. Griebel, J. Hamaekers, and F. Heber.
Bossanova - a bond order dissection approach for efficient electronic structure calculations.
Oberwolfach Report, 32:1804-1808, 2011.
M. Griebel and J. Hamaekers.
Tensor product multiscale many-particle spaves with finite-order weights for the electronic Schrödinger equation.
In M. Dolg, editor, Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics, volume 3 of Progress in Physical Chemistry, pages 237-253. Oldenbourg Wissenschaftsverlag GmbH, München, 2010.
M. Griebel and J. Hamaekers.
Tensor product multiscale many-particle spaves with finite-order weights for the electronic Schrödinger equation.
Zeitschrift für Physikalische Chemie, 224:527-543, 2010.
A. M. Bittner, F. Heber, and J. Hamaekers.
Biomolecules as soft matter surfaces
Surface Science, 603:1922-1925, 2009.
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.
H. Manzano, J. Dolado, M. Griebel, and J. Hamaekers.
A molecular dynamics study of the aluminosilicate chains structure in Al-rich calcium silicate hydrated (C-S-H) gels.
physica status solidi (a) - applications and materials science, 205(6):1324-1329, 2008.
J. S. Dolado, M. Griebel, and J. Hamaekers.
A molecular dynamics study of cementitious silicate hydrate (C-S-H) gels.
Journal of the American Ceramic Society, 90(12):3938-3942, 2007.
M. Griebel and J. Hamaekers.
Sparse grids for the Schrödinger equation.
Mathematical Modelling and Numerical Analysis, 41(2):215-247, 2007. Special issue on Molecular Modelling.
M. Griebel and J. Hamaekers.
Molecular dynamics simulations of boron-nitride nanotubes embedded in amorphous Si-B-N.
Computational Materials Science, 39(3):502-517, 2007.
M. Griebel and J. Hamaekers.
Molecular dynamics simulations of the mechanical properties of polyethylene-carbon nanotube composites.
In M. Rieth and W. Schommers, editors, Handbook of Theoretical and Computational Nanotechnology, volume 9, chapter 8, pages 409-454. American Scientific Publishers, 2006.
M. Griebel and J. Hamaekers.
Molecular dynamics simulations of the elastic moduli of polymer-carbon nanotube composites.
Computer Methods in Applied Mechanics and Engineering, 193(17-20):1773-1788, 2004.
M. Griebel, J. Hamaekers, and C. Neuen.
Multiscale Simulation of Ion Migration for Battery Systems.
MRS Online Proceedings Library, volume 1535, 2013.
M. Griebel and J. Hamaekers.
A wavelet based sparse grid method for the electronic Schrödinger equation. In M. Sanz-Solé, J. Soria, J. Varona, and J. Verdera, editors,
Proceedings of the International Congress of Mathematicians, volume III, pages 1473-1506, Madrid, Spain, August 22-30 2006. European Mathematical Society.
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.
M. Griebel and J. Hamaekers.
Molecular dynamics of mechanical properties of boron-nitride nanotubes embedded in Si-B-N ceramics.
In N. M. Ghoniem, editor, Conference Proceedings, Second International Conference on Multiscale Materials Modeling, pages 51-55, Mechanical and Aerospace Engineering Department, University of California Los Angeles, October 11-15 2004.
M. Griebel and J. Hamaekers.
Molecular dynamics simulations of the elastic moduli of polymer-carbon nanotube composites.
In D. Hui, editor, ICCE-10, pages 213-214, College of Engineering, University of New Orleans, July 20-26 2003. International Community for Composites Engineering.
M. Griebel, J. Hamaekers, and F. Heber.
BOSSANOVA: A bond order dissection approach for efficient electronic structure calculations. 2008.
J. Hamaekers.
Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schrödinger Equation.
Dissertation, Institut für Numerische Simulation, Universität Bonn, July 2009
J. Hamaekers.
Ebene-Wellen basiertes, adaptives und paralleles Verfahren für die Dichtefunktionaltheorie.
Diplomarbeit, Institut für Angewandte Mathematik, Universität Bonn, Bonn, Germany, 2002.
Virtual Material Design and Numerical Simulation
German-Japanese Micro/Nano Applied Technology Symposium - Fraunhofer Symposium,
November 20th, 2012, Sendai, Japan
Sparse Grids for the Electronic Schrödinger Equation
Workshop on Mathematics and Numerical Analysis of Electronic Structure Models,
Beijing, China, June 11-15, 2012
Virtual Material Design and Numerical Simulation
4th MATERIALICA Metal Lightweight Conference,
October 20th, 2011, Munich, Germany
Multi-GPU Accelerated Numerical Simulation,
SimGPU 2011 - International Symposium "Computer Simulations on GPU",
Mainz, Germany, May 30 - June 1, 2011
QM/MM Coupling Method Based on a Particle-Wise Decomposition Approach,
MMM2010 - Fifth International conference on Multiscale Materials Modeling,
Freiburg, Germany, October 4-9, 2010.
Sparse grid methods for the electronic Schrödinger equation,
GAMM24 - 24th GAMM-Seminar Leipzig on Tensor Approximations,
Leipzig, Deutschland, January 25-26, 2008.
Sparse grid methods for the electronic Schrödinger equation,
Begutachtungkolloquim SPP1145,
Bonn, July 4-6, 2007.
QM and MM simulations of the growth process and the material properties of inorganic nanotubes and nanotube composites,
NT07 - Eigth International Conference on the Science and Application of Nanotubes,
Ouro Preto, Brazil, June 24-29, 2007.
Dimension-adaptive sparse grid methods for the electronic Schrödinger equation,
SPP1145 - Highly Accurate Calculations of Molecular Electronic Structure,
Bad Herrenalb, Germany, March 22-24, 2007.
Molecular dynamics simulations of mechanical properties of BN nanotube/Si-B-N ceramics composites,
NT 05 - Sixth International Conference on the Science and Application of Nanotubes,
Gothenburg, Sweden, June 26 - July 1, 2005.
Fast Fourier Transformation with hierarchical bases on Sparse Grids for the Schrödinger equation,
Workshop on High-dimensional Approximation,
Canberra, Australia, February 14-17, 2005.
Molecular dynamics simulations of mechanical properties of boron-nitride nanotubes embedded in Si-B-N ceramics,
MMM-II - 2nd International Conference on Multiscale Materials Modeling,
Los Angeles, USA, October 11-15, 2004.
Molecular dynamics simulations of BN nanotubes embedded in amorphous Si-B-N matrices,
WCCM VI - Sixth World Congress on Computational Mechanics,
Beijing, China, September 5-10, 2004
Molecular dynamics simulations of boron-nitride nanotubes embedded in amorphous silicon-boron-nitride matrices,
NT 04 - International Conference on the Science and Application of Nanotubes,
San Luis Potosi, Mexico, July 19-24, 2004.
Molecular dynamics simulations of the elastic moduli of polymer-carbon nanotube composites,
7th US National Congress on Computational Mechanics,
Albuqerque, NM, USA, July 27-31, 2003.
Molecular dynamics simulations of the elastic moduli of polymer-carbon nanotube composites,
10th International Conference on Composites/Nano Engineering,
New Orleans, LA, USA, July 20-26, 2003.
Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schroedinger Equation,
Computational Maths Seminar, School of Mathematics and Statistics, UNSW Sydney, Australia, March 2, 2010
Numerical Simulation in Molecular Dynamics,
Molecular Modelling Course , BASF Ludwigshafen, Germany, November 11-13, 2009.
Sparse grid methods for the electronic Schrödinger equation,
TU Graz, Graz, Austria, January 21, 2008.
Moleküldynamik Simulationen von Materialeigenschaften von Nanoröhren-Verbundwerkstoffen,
SFB 551 "Kohlenstoff aus der Gasphase: Elementarreaktionen, Strukturen, Werkstoffe" Seminar (Kolloquium) , Karlsruhe, December 16, 2004