Research Group of Prof. Dr. M. Griebel
Institute for Numerical Simulation
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Publications of Dr. Jan Hamaekers:

[1] M. Griebel, J. Hamaekers, and R. Chinnamsetty. An Adaptive Multiscale Approach for Electronic Structure Methods. Multiscale Modeling & Simulation, 16(2):752-776, 2018. Also available as INS Preprint No. 1601.
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[2] J. Barker, J. Bulin, J. Hamaekers, and S. Mathias. LC-GAP: Localized Coulomb Descriptors for the Gaussian Approximation Potential, pages 25-42. Springer International Publishing, Cham, 2017. Also available as INS Preprint No. 1604.
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[3] J. Barker, G. Bollerhey, and J. Hamaekers. A multilevel approach to the evolutionary generation of polycrystalline structures. Computational Materials Science, 114:54-63, 2016. also available as INS Preprint No. 1525.
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[4] 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.
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[5] 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. INS Preprint No. 1305.
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[6] 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. also available as INS Preprint No. 1402.
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[7] C. Neuen, M. Griebel, and J. Hamaekers. Multiscale simulation of ion migration for battery systems. MRS Online Proceedings Library, 1535, 2013. Also available as INS Preprint no. 1208.
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[8] 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.
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[9] M. Griebel, J. Hamaekers, and F. Heber. BOSSANOVA - A bond order dissection approach for efficient electronic structure calculations. Oberwolfach Report, 32:1804-1808, 2011.
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[10] M. Griebel and J. Hamaekers. Tensor product multiscale many-particle spaces 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.
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[11] M. Griebel and J. Hamaekers. Tensor product multiscale many-particle spaces with finite-order weights for the electronic Schrödinger equation. Zeitschrift für Physikalische Chemie, 224:527-543, 2010. Also available as INS Preprint no 0911.
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[12] 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.
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[13] J. Hamaekers. Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schödinger Equation. Dissertation, Institut für Numerische Simulation, Universität Bonn, July 2009.
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[14] A. M. Bittner, F. Heber, and J. Hamaekers. Biomolecules as soft matter surfaces. Surface Science, 603:1922-1925, 2009.
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[15] 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.
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[16] 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, 2008.
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[17] 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. Also as INS Preprint No. 0707.
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[18] 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. Also as INS Preprint No. 0701.
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[19] 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. Also as INS Preprint No. 0504.
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[20] 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. Also as INS Preprint No. 0501.
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[21] 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. Also as INS Preprint No. 0603.
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[22] 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. Also as INS Preprint No. 0502.
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[23] 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.
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[24] 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.
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[25] 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.
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[26] 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.
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[27] J. Hamaekers. Ebene-Wellen basiertes, adaptives und paralleles Verfahren für die Dichtefunktionaltheorie. Diplomarbeit, Institut für Angewandte Mathematik, Universität Bonn, Bonn, Germany, 2002.
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