Godehard Sutmann's complete publication list
Journal Article
Modeling segregated solutes in plastically deformed alloys using coupled molecular dynamics-Monte Carlo simulations
Journal of materials science & technology 213, 98 - 108 (2025) [10.1016/j.jmst.2024.06.030]
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Dynamics of polymer electrolyte with LiTFSI via Quasi-Elastic Neutron Scattering
European Conference on Neutron Scattering 2023, ECNS 2023, GarchingGarching, Germany, 20 Mar 2023 - 23 Mar 2023
The European physical journal / Web of Conferences 286, 04005 pp. (2023) [10.1051/epjconf/202328604005]
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Kokkos-Based Implementation of MPCD on Heterogeneous Nodes
International Conference on Parallel Processing and Applied Mathematics, PPAM 2022, GdanskGdansk, Poland, 11 Sep 2022 - 14 Sep 2022
Cham : Springer International Publishing, Lecture Notes in Computer Science 13827, 3-13 (2023) [10.1007/978-3-031-30445-3_1]
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Journal Article
Using heterogeneous GPU nodes with a Cabana-based implementation of MPCD
Parallel computing 117, 103033 (2023) [10.1016/j.parco.2023.103033]
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Journal Article
Parallel hybrid Monte Carlo / Molecular Statics for Simulation of Solute Segregation in Solids
Journal of physics / Conference Series 1740(1), 012001 (2021) [10.1088/1742-6596/1740/1/012001]
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Journal Article
Towards blood flow in the virtual human: efficient self-coupling of HemeLB
Interface focus 11(1), 20190119 - (2021) [10.1098/rsfs.2019.0119]
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Journal Article
Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability
Journal of parallel and distributed computing 138, 48 - 54 (2020) [10.1016/j.jpdc.2019.12.003]
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Examining Performance Portability with Kokkos for an Ewald Sum Coulomb Solver
Parallel Processing and Applied Mathematics, PPAM19, BialystokBialystok, Poland, 8 Sep 2019 - 11 Sep 2019
Cham : Springer, Lecture Notes in Computer Science 12044, 35-45 (2020) [10.1007/978-3-030-43222-5_4]
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A Consistent Boundary Method for the Material Point Method - Using Image Particles to Reduce Boundary Artefacts
VI International Conference on Particle Based Methods: Fundamentals and Applications, BarcelonaBarcelona, Spain, 28 Oct 2019 - 30 Oct 2019
Barcelona, Spain : International Centre for Numerical Methods in Engineering (CIMNE) 522 - 531 (2019)
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Multi-Level Load Balancing for Parallel Particle Simulations
VI International Conference on Particle-based Methods–Fundamentals and Applications, BarcelonaBarcelona, Spain, 28 Oct 2019 - 30 Oct 2019
Barcelona, Spain : International Centre for Numerical Methods in Engineering (CIMNE) 80 - 92 (2019)
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Journal Article
Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP
The international journal of high performance computing applications 32(2), 227 - 241 (2019) [10.1177/1094342017727060]
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Journal Article
Spontaneous Fluctuations in Mesoscopic Simulations of Nematic Liquid Crystals
Fluctuation and noise letters 18(3), 1950011 (2019) [10.1142/S0219477519500111]
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Contribution to a book
MC/MD Coupling for Scale Bridging Simulations of Solute Segregation in Solids: An Application Study
Berlin : Springer, Communications in computer and information science 889, 112-127 (2018) [10.1007/978-3-319-96271-9_7]
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Journal Article
Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres
Computational materials science 155, 439 - 449 (2018) [10.1016/j.commatsci.2018.08.055]
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Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
Parallel Processing and Applied Mathematics / Wyrzykowski, Roman (Editor) [0000-0003-1724-1786] ; Cham : Springer International Publishing, 2018, Chapter 23 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-78053-5=978-3-319-78054-2 ; doi:10.1007/978-3-319-78054-2
12th International Conference on Parallel Processing and Applied Mathematics, PPAM 2017, LublinLublin, Poland, 10 Sep 2017 - 13 Sep 2017
Cham : Springer International Publishing, Lecture Notes in Computer Science 10778, 244 - 253 (2018) [10.1007/978-3-319-78054-2_23]
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Journal Article
Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL
The journal of supercomputing 74(4), 1522 - 1533 (2018) [10.1007/s11227-017-2232-2]
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Cluster formation in stochastic disk systems
International Confernece of Numerical Analysis and Applied Mathematics, ICNAAM 2016, RhodesRhodes, Greece, 19 Sep 2016 - 25 Sep 2016
Melville, NY : Inst., AIP conference proceedings 1863, 560089 pp. (2017) [10.1063/1.4992772]
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Towards a Flexible Cell-based Framework for Parallel Scale-Bridging Simulations in Materials Science: a First Case Study
Proceedings of the Fifth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, P. Iványi, B.H.V. Topping, G. Várady, (Editors), ISBN 978-1-905088-66-9
The Fifth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, PARENG 2017, PecsPecs, Hungary, 30 May 2017 - 31 May 2017
Stirlingshire, UK : Civil-Comp Press, Civil-Comp Proceedings 111, 24 pp. (2017) [10.4203/ccp.111.24]
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Journal Article
Parallel multiphase field simulations with OpenPhase
Computer physics communications 215, 173 - 187 (2017) [10.1016/j.cpc.2017.01.023]
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Journal Article
Polymer conformations in ionic microgels in the presence of salt: Theoretical and mesoscale simulation results
Polymers 9(1), 15 (2017) [10.3390/polym9010015]
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Green’s function enriched Poisson solver for electrostatics in many-particle systems
International Conference of Numerical Analysis and Applied Mathematics 2015, ICNAAM 2015, RhodesRhodes, Greece, 22 Sep 2015 - 29 Sep 2015
Melville : American Institute of Physics, AIP Conference Proceedings 1738, 480092 pp. (2016) [10.1063/1.4952328]
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Journal Article
Complexity analysis of simulations with analytic bond-order potentials
Modelling and simulation in materials science and engineering 24(2), 025008 - (2016) [10.1088/0965-0393/24/2/025008]
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Journal Article
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations
Computer physics communications 204, 64 - 73 (2016) [10.1016/j.cpc.2016.03.008]
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Contribution to a conference proceedings
Multi-threaded Construction of Neighbour Lists for Particle Systems in OpenMP
Parallel Processing and Applied Mathematics / Wyrzykowski, Roman (Editor), ISBN: 978-3-319-32151-6=978-3-319-32152-3
11th International Conference on Parallel Processing and Applied Mathematics, PPAM 2015, KrakowKrakow, Poland, 6 Sep 2015 - 9 Sep 2015
Cham : Springer International Publishing, Lecture Notes in Computer Science 9574, 153 - 165 (2016) [10.1007/978-3-319-32152-3_15]
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Journal Article
Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
Journal of computational physics 314, 14 - 34 (2016) [10.1016/j.jcp.2016.02.065]
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Contribution to a conference proceedings
Parallel Bond Order Potentials for Materials Science Simulations
The Fourth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, DubrovnikDubrovnik, Croatia, 24 Mar 2015 - 27 Mar 2015
Stirlingshire, UK : Civil-Comp Press Paper 4 (2015) [10.4203/ccp.107.4]
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Contribution to a conference proceedings
Massively Parallel Multiphase Field Simulations
The Fourth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, DubrovnikDubrovnik, Croatia, 24 Mar 2015 - 27 Mar 2015
Stirlingshire, UK : Civil-Comp Press Paper 5 (2015) [10.4203/ccp.107.5]
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Journal Article
Large scale Molecular Dynamics simulation of microstructure formation during thermal spraying of pure copper
Surface and coatings technology 280, 72 - 80 (2015) [10.1016/j.surfcoat.2015.08.034]
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Journal Article
Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations
Computer physics communications 190, 51 - 61 (2015) [10.1016/j.cpc.2015.01.009]
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Journal Article
Retrospective of International Jülich CECAM School on Computational Trends in Solvation and Transport in Liquids
Innovatives Supercomputing in Deutschland 13(1), 110-111 (2015)
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Proceedings/Book
Computational Trends in Solvation and Transport in Liquids - Lecture Notes
Jülich CECAM School "Computational Trends in Solvation and Transport in Liquids", STL 2015, JülichJülich, Germany, 23 Mar 2015 - 27 Mar 2015
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. IAS Series 28, vi, 614 S. (2015)
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Journal Article
Jülich School on Computational Trends in Solvation and Transport in Liquids
Innovatives Supercomputing in Deutschland 12(2), 95-96 (2014)
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Book/Proceedings
Hybrid Particle-Continuum Methods in Computational Materials Physics - Proceedings
Hybrid Particle-Continuum Methods in Computational Materials Physics, JülichJülich, Germany, 4 Mar 2013 - 7 Mar 2013
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, NIC Series 46, ii, 232 S. (2013)
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Journal Article
Comparison of scalable fast methods for long-range interactions
Physical review / E 88(6), 063308 (2013) [10.1103/PhysRevE.88.063308]
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GASPI – A Partitioned Global Address Space Programming Interface
Facing the Multicore-Challenge III / Keller, Rainer (editor); Kramer, David (editor); Weiss, Jan-Philipp (editor); Berlin, Heidelberg : Springer Berlin Heidelberg, 2013, Chapter 18 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-642-35892-0=978-3-642-35893-7 ; doi:10.1007/978-3-642-35893-7
Facing the Multicore-Challenge, StuttgartStuttgart, Germany, 19 Sep 2012 - 21 Sep 2012
Berlin, Heidelberg : Springer Berlin Heidelberg, Lecture notes in computer science 7686, 135 - 136 (2013) [10.1007/978-3-642-35893-7_18]
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Parallel Brownian Dynamics Simulation with MPI, OpenMP and UPC
Hybrid Particle-Continuum Methods in Computational Materials Physics
Hybrid Particle-Continuum Methods in Computational Materials Physics, JülichJülich, Germany, 4 Mar 2013 - 7 Mar 2013
Jülich : John von Neumann Institute for Computing (NIC), NIC Series 46, 25 - 40 (2013)
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Journal Article
Parallel simulation of Brownian dynamics on shared memory systems with OpenMP and Unified Parallel C
The journal of supercomputing 65(3), 1050 - 1062 (2013) [10.1007/s11227-012-0843-1]
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Journal Article
Parallel Brownian dynamics simulations with the message-passing and PGAS programming models
Computer physics communications 184(4), 1191-1202 (2013) [10.1016/j.cpc.2012.12.015]
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Journal Article
CECAM Tutorials at JSC
Innovatives Supercomputing in Deutschland 11(2), 100 (2013)
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Proceedings/Book
Multiscale Modelling Methods for Applications in Materials Science
CECAM Tutorial on Multiscale Modelling Methods for Applications in Materials Science, JülichJülich, Germany, 16 Sep 2013 - 20 Sep 2013
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. IAS Series 19, 319 S. (2013)
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Proceedings/Book
Hybrid Particle-Continuum Methods in Computational Materials Physics
Workshop on Hybrid Particle-Continuum Methods in Computational Materials Physics, HYBRID2013, JülichJülich, Germany, 4 Mar 2013 - 7 Mar 2013
Jülich : John von Neumann Institute for Computing (NIC), NIC Series 46, 232 p. (2013)
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Book
Hierarchical Methods for Dynamics in Complex Molecular Systems
Jülich : Forschungszentrum Jülich GmbH Zentralbibliiothek, Verlag, Schriften des Forschungszentrums Jülich. IAS Series 10, VI, 540 S. (2012)
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Journal Article
CECAM - Jülich Summer School on Fast Methods for Long-Range Interactions in Complex Systems
Innovatives Supercomputing in Deutschland: inSiDE 9(2), 84 (2011)
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Book
Fast Methods for Long-Range Interactions in Complex Systems
Jülich : Forschungszentrum Jülich Gmbh Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. IAS Series 6, (2011)
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Journal Article
Jülich established as CECAM Node
Innovatives Supercomputing in Deutschland: inSiDE 9(1), 13 (2011)
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Journal Article
Fast Methods for Long-Range Interactions in Complex Systems
Physik-Journal 10, 62 (2011)
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Contribution to a conference proceedings/Contribution to a book
Multiparticle Collision Dynamics on the Cell Broadband Engine using CellSs
CCP 95, Proceedings of the Second International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, ed./: P. Iványi, B.H.V. Topping, Civil-Comp Press, Stirlingshire, UK, 2011. - Paper 69
[10.4203/ccp.95.69]
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Journal Article
Tumbling of polymers in semidilute solution under shear flow
epl 93, 54004 (2011) [10.1209/0295-5075/93/54004]
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Contribution to a conference proceedings/Contribution to a book
Classical Particle Simulations
Fast Methods for Long-Range Interactions in Complex Systems, ed.; / G. Sutmann, P. Gibbon, T. Lippert, Summer School, 6-10 September 2010, Jülich, Schriften des Forschungszentrums Jülich. - IAS Series, Volume 6, 2011. - 978-3-89336-714-6. - S. 1 - 38
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Journal Article
Hydrodynamic fluctuations in thermostatted multiparticle collision dynamics
Physical review / E 83(4), 046708 (2011) [10.1103/PhysRevE.83.046708]
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Journal Article
Summer School on Fast Methods for Long-Range Interactions in Complex Systems
Innovatives Supercomputing in Deutschland: inSiDE 8(2), 64 (2010)
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Journal Article
Semidilute Polymer Solutions at Equilibrium and under Shear Flow
Macromolecules 43, 10107 - 10116 (2010) [10.1021/ma101836x]
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Contribution to a conference proceedings/Contribution to a book
Particle Based Simulations of Complex Systems with MP2C: Hydrodynamics and Electrostatics
ICNAAM 2010: International Conference of Numerical Analysis and Applied Mathematics 2010, AIP Conference Proceedings, Vol. 1281, Issue 1, 2010. - 978-0-7354-0834-0. - S. 1768 - 1772
[10.1063/1.3498216]
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Particle Methods on Multicore Architectures: Experiences and Future Plans
ICNAAM 2010: International Conference of Numerical Analysis and Applied Mathematics 2010, AIP Conference Proceedings, Vol. 1281, Issue 1, 2010. - 978-0-7354-0834-0. - S. 1797 -1800
[10.1063/1.3498233]
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Mesoscopic Simulations of Hydrodynamic Interactions Using a Particle-Based Model on Cell Broadband Engine
Mitteilungen - Gesellschaft für Informatik e.V., Parallel-Algorithmen und -Rechnerstrukturen, Nr. 26, Dezember 2009, S. 17 - 26
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Semidilute Polymer Systems under Shear Flow
NIC Symposium 2010, / ed.: G. Münster, D. Wolf, M. Kremer, Jülich, Forschungszentrum Jülich, IAS Series Vol. 3. - 978-3-89336-606-4. - S. 287 - 294
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Contribution to a conference proceedings/Contribution to a book
Extending scalability of MP2C to more than 250k compute core
Jülich Blue Gene/P Extreme Scaling Workshop 2009, / ed.: B. Mohr, W. Frings, Jülich, Jülich Supercomputing Centre, Technical Report FZJ-JSC-IB-2010-02, February 2010. - S. 21 - 26
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Journal Article
Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations
Journal of computational physics 229, 168 - 177 (2010) [10.1016/j.jcp.2009.09.024]
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Contribution to a conference proceedings/Contribution to a book
High Throughput Parallel-I/O using SIONlib for Mesoscopic Particle Dynamics Simulations on Massively Parallel Computers
Parallel Computing: From Multicores and GPU's to Petascale, / ed.: B. Chapman, F. Desprez, G.R. Joubert, A. Lichnewsky, F. Peters and T. Priol, Amsterdam, IOS Press, 2010. Advances in Parallel Computing Volume 19. - 978-1-60750-529-7. - S. 371 - 378
[10.3233/978-1-60750-530-3-371]
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Journal Article
Rigid molecule approximation in memory function-based models for molecular liquids: Application to liquid water
Zeitschrift für Physikalische Chemie 223, 957 - 978 (2009) [10.1524/zpch.2009.6063]
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Journal Article
ScaFaCoS - when Long Range Goes Parallel
Innovatives Supercomputing in Deutschland: inSiDE 7(1), 58 - 59 (2009)
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Contribution to a book
Molecular Dynamics - Extending the Scale from Microscopic to Mesoscopic
NIC Series Volume 42 : Multiscale Simulation Methods in Molecular Sciences, Lecture Notes, Johannes Grotendorst, Norbert Attig, Stefan Blügel, Dominik Marx, chapter 1, p. 1-49, Jülich : John von Neumann Institute for Computing, 2009. ISBN: 978-3-9810843-8-2
Jülich : John von Neumann Institute for Computing, NIC series 42, 1-49 (2009)
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Parallel 2d-Wavelet Transform on the Cell/B.E. for Fast Calculation of Coulomb Potentials
NIC Series Volume 40 : From Computational Biophysics to Systems Biology (CBSB08), Ulrich H. E. Hansmann, Jan H. Meinke, Sandipan Mohanty, Walter Nadler, Olav Zimmermann (Editors), chapter 91, p. 385-388, Jülich : John von Neumann Institute for Computing, 2008. ISBN: 978-3-9810843-6-8
Jülich : John von Neumann Institute for Computing, NIC series 40, 385-388 (2008)
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Communication and Load Balancing of Force-Decomposition Algorithms for Parallel Molecular Dynamics
Parallel Computing : Architectures, Algorithms and Applications / ed.: C. Bischof, M. Bücker, P. Gibbon, G. Joubert, T. Lippert, B. Mohr, F. Peters. - Amsterdam, IOS Press, 2008. - 978-1-58603-796-3. - S. 45 - 52
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Book
Untersuchungen der Auger-Emitter abhängigen biologischen Wirksamkeit zur Ermittlung des Strahlungs-Wichtungsfaktors für Auger-Elektronen
Bonn : Bundesministerium für Umwelt, Naturschutz und Reaktorsicherheit, Schriftenreihe Reaktorsicherheit und Strahlenschutz (2008)
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Journal Article
Scaling laws and memory effects in the dynamics of liquids and proteins
Physics of particles and nuclei letters 5, 189 - 195 (2008) [10.1134/S1547477108030114]
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Journal Article
Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods
Journal of statistical mechanics: theory and experiment P07012 (2008) [10.1088/1742-5468/2008/07/P07012]
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Journal Article
Probability distributions of Hamiltonian changes in linear magnetic systems under discontinuous perturbations
Journal of statistical mechanics: theory and experiment P05009 (2008) [10.1088/1742-5468/2008/05/P05009]
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Contribution to a conference proceedings/Contribution to a book
A Fast Wavelet Based Implementation to Calculate Coulomb Potentials on the Cell/B.E.
High Performance Computing and Communications 2008 : HPCC '08 ; 10th IEEE International Conference on High Performance Computing and Communications. - IEEE, 2008. - 978-0-7695-3352-0. - S. 162 - 168
[10.1109/HPCC.2008.9]
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Contribution to a conference proceedings/Contribution to a book
Parallel Molecular Dynamics Simulations
JULI Project - Final Report / ed.: U. Detert, A. Thomasch, N. Eicker, J. Broughton. - Jülich, Forschungszentrum, Zentralinstitut für Angewandte Mathematik, 2007. - (FZJ-ZAM-IB-2007-05). - S. 26 - 28
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Contribution to a book
Communication and Load Balancing of Force-Decomposition Algorithms for Parallel Molecular Dynamics
NIC Series Volume 38: Parallel Computing: Architectures, Algorithms and Applications, Proceedings, ParCo 2007 Conference 4. - 7. September 2007, C. Bischof, M. Bücker, P. Gibbon, G.R. Joubert, T. Lippert, B. Mohr, F. Peters (Eds.), chapter 5, p. 45-52, Jülich : John von Neumann Institute for Computing, 2007. ISBN: 978-3-9810843-4-4
Jülich : John von Neumann Institute for Computing, NIC series 38, 45-52 (2007)
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Contribution to a conference proceedings/Contribution to a book
Communication and Load Balancing of Force-Decomposition Algorithms for Parallel Molecular Dynamics
Parallel Computing : Architectures, Algorithms and Applications ; Book of Abstracts of the International Conference ParCo 2007 / ed.: G. R. Joubert, C. Bischof, F. J. Peters, T. Lippert, M. Bücker, P. Gibbon, B. Mohr. - Jülich, FZJ, John von Neumann Institute for Computing, 2007. - (NIC series ; 37). - 978-3-9810843-3-7. - S. 18
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Contribution to a book
A Load Balanced Force-Domain Decomposition Algorithm for Parallel Molecular Dynamics Simulations
NIC Series Volume 36: From Computational Biophysics to Systems Biology (CBSB07), Ulrich H. E. Hansmann, Jan Meinke, Sandipan Mohanty, Olav Zimmermann (Editors), chapter 60, p. 279-282, Jülich : John von Neumann Institute for Computing, 2007. ISBN: 978-3-9810843-2-0
Jülich : John von Neumann Institute for Computing, NIC series 36, 279-282 (2007)
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Journal Article
Non-equilibrium work theorems for the two-dimensional Ising model
Journal of statistical mechanics: theory and experiment 2007, P04010 (2007) [10.1088/1742-5468/2007/04/P04010]
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Journal Article
Compact Finite Difference Schemes of Sixth Order for the Helmholtz Equation
Journal of Computational and Applied Mathematics 203, 15 - 31 (2007) [10.1016/j.cam.2006.03.008]
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Journal Article
Divergence-Free Description of Molecular Rotation in Cartesian Coordinates: The Axis-Rotation Formula and some of its Applications to Computational Chemistry
Revue roumaine de chimie 52, (2007)
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Journal Article
NFFT based extension of a particle simulation method using multigrid
Proceedings in applied mathematics and mechanics 7, 2140005 - 2140006 (2007) [10.1002/pamm.200700223]
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Contribution to a book
A Highly Accurate and Optimal Method to Calculate Long Range Interactions
NIC Series Volume 34 : NIC Workshop: From Computational Biophysics to Systems Biology 2006, Ulrich H.E. Hansmann, Jan Meinke, Sandipan Mohanty, Olav Zimmermann (Editors), chapter 40, Jülich : John von Neumann Institute for Computing, pp. 189-192. ISBN: ISBN
Seminar, JülichJülich, 14 Feb 2006
Jülich : John von Neumann Institute for Computing, NIC series 34, 224 p. (2006)
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Contribution to a book
A Fast Wavelet Based Evaluation of Coulomb Potentials in Molecular Systems
NIC Series Volume 34 : NIC Workshop: From Computational Biophysics to Systems Biology 2006, Ulrich H.E. Hansmann, Jan Meinke, Sandipan Mohanty, Olav Zimmermann (Editors), chapter 39, Jülich : John von Neumann Institute for Computing, pp. 185-188. ISBN: 3-9810843-0-6
Jülich : John von Neumann Institute for Computing, NIC series 34, 224 p. (2006)
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Contribution to a conference proceedings/Contribution to a book
A High Accurate and Optimal Method to Calculate Long Range Interactions
From Computational Biophysics to Systems Biology 2006 / ed.: U. H. E. Hansmann, J. Meinke, S. Mohanty, O. Zimmermann. - Jülich, John von Neumann Institut für Computing, 2006. - (NIC-series ; 34). - 3-9810843-0-6, 978-3-9810843-0-6. - S. 189 - 192
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Journal Article
Role of effective atomic masses in memory function-based models for liquids: A simulation study of liquid water
The journal of chemical physics 125, 236102 (2006) [10.1063/1.2403877]
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Journal Article
Optimization of neighbor list techniques in liquid matter simulations
Journal of molecular liquids 125, (2006) [10.1016/j.molliq.2005.11.029]
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Contribution to a book
Molecular Dynamics - Vision and Reality
NIC Series Volume 31 : Computational Nanoscience: Do It Yourself!Lecture Notes, Johannes Grotendorst, Stefan Blügel, Dominik Marx, chapter 7, p. 159-194, Jülich : John von Neumann Institute for Computing, 2006. ISBN: 3-00-017350-1
Jülich : John von Neumann Institute for Computing, NIC series 31, 159-194 (2006)
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Journal Article
High-order compact solvers for the three-dimensional Poisson equation
Journal of Computational and Applied Mathematics 187, 142 - 170 (2006) [10.1016/j.cam.2005.03.041]
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Journal Article
Two-dimensional chiral model for liquid crystals, bent hard needles: a Monte Carlo simulation
The journal of chemical physics 125, 104908 (2006) [10.1063/1.2338313]
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Journal Article
A particle-particle particle-multigrid algorithm for long range interactions in molecular systems
Computer physics communications 169, 343 - 346 (2005) [10.1016/j.cpc.2005.03.077]
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Journal Article
Is Coulomb explosion a damaging mechanism for 125-IUdR?
International Journal of Radiation Biology 80, (2004) [10.1080/09553000400017614]
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Journal Article
Scaling of the Memory Function and Brownian Motion
The journal of chemical physics 120, 1667 - 1669 (2004) [10.1063/1.1642599]
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Wird I-125UdR durch Coulomb-Explosion zerstört?
Proceedings der 7. Jahrestagung der Gesellschaft für Biologische Strahlenforschung / G. Taucher-Scholz. - Darmstadt, 2004. - 3-00-013476-X. - S. 1
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Journal Article
Mass and size effects of the memory function of tracer particles
The journal of chemical physics 118, 5283 - 5286 (2003) [10.1063/1.1562620]
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Journal Article
Collective dynamics of liquid HCl: The density and longitudinal current correlations
The journal of chemical physics 118, 202 - 208 (2003) [10.1063/1.1524620]
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Contribution to a book
Classical Molecular Dynamics
NIC Series Volume 10 : Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, Lecture Notes, edited by Johannes Grotendorst, Dominik Marx, Alejandro Muramatsu, chapter 9, p. 211-254, Jülich : John von Neumann Institute for Computing, 2002. ISBN: 3-00-009057-6
Jülich : John von Neumann Institute for Computing, NIC series 10, 211-254 (2002)
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Contribution to a book
Long-Range Interactions in Many-Particle Simulation
NIC Series Volume 10 : Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, Lecture Notes, edited by Johannes Grotendorst, Dominik Marx, Alejandro Muramatsu, chapter 20, p. 467-506, Jülich : John von Neumann Institute for Computing, 2002. ISBN: 3-00-009057-6
Jülich : John von Neumann Institute for Computing, NIC series 10, 467-506 (2002)
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Journal Article
Dynamical properties of hydrogen bonded liquids
Journal of molecular liquids 96-97, 19 - 29 (2002) [10.1016/S0167-7322(01)00323-3]
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Journal Article
Dynamics of the hydrogen bond network in liquid water
Journal of molecular liquids 98/99, 215 - 226 (2002) [10.1016/S0167-7322(01)00320-8]
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Journal Article
Instantaneous normal mode analysis of correlated cluster motions in hydrogen bonded liquids
The journal of chemical physics 117, 3278 - 3288 (2002) [10.1063/1.1493775]
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Journal Article
Time and length scales for diffusion in liquids
Physical review / E 65(6), 060201 (2002) [10.1103/PhysRevE.65.060201]
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Journal Article
Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle
Computer physics communications 147, 374 - 377 (2002) [10.1016/S0010-4655(02)00308-9]
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Journal Article
Phase behaviour of columnar DNA assemblies
Physical review letters 89, 18303 - 18307 (2002) [10.1103/PhysRevLett.89.018303]
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Journal Article
The collective dynamical properties of HCl : the transverse current correlations
The journal of chemical physics 114, 8467 - 8472 (2001) [10.1063/1.1352643]
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Contribution to a conference proceedings/Contribution to a book
Molecular dynamics algorithms for massively parallel systems
Workshop on Molecular Dynamics on Parallel Computers : John von Neumann Institute for Computing Research Centre Jülich 8. - 10. Febr. 1999 / ed. by Rüdiger Esser .... - Singapore, 2000. - 981-02-4232-8. - S. 46 - 69
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Contribution to a conference proceedings/Contribution to a book
CRAY T3E and parallel molecular dynamics algorithms
Workshop on Molecular Dynamics on Parallel Computers : John von Neumann Institute for Computing (NIC) ; Research Centre Jülich, Germany, 8-10 February 1999 / ed.: R. Esser ... - Singapore, 2000. - 981-02-4232-8. - S. 348 - 351
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Dissertation / PhD Thesis/Internal Report
Die nichtlokale dielektrische Funktion von Wasser
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Berichte des Forschungszentrums Jülich 3627, iv, 200 p. (1999) = TU München, Diss., 1999
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Contribution to a conference proceedings/Contribution to a book
DMMD : a modular molecular dynamics program für MPP-systems
5th SGI/CRAY MPP Workshop : Bologna, 9.-10.9.1999
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Journal Article
Analysis of single molecule dynamics in liquid HF
Chemical physics letters 315, 109 - 114 (1999) [10.1016/S0009-2614(99)01161-6]
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Journal Article
Computer simulation of the nonlocal dielectric of polar liquids : boundary conditions revisited
Molecular physics 96, 1781 - 1788 (1999) [10.1080/00268979909483121]
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Journal Article
Nonlocal dielectric function of water : how strong are the effects of intramolecular charge form factors?
Journal of molecular liquids 82, 151 - 160 (1999) [10.1016/S0167-7322(99)00049-5]
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Journal Article
Velocity correlations in liquid hydrogen fluoride
The journal of chemical physics 111, 4663 - 4671 (1999) [10.1063/1.479228]
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