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RUB, MarquardProf. Dr. Godehard Sutmann
Institute for Advanced Simulation (IAS)
Forschungszentrum Jülich
Wilhelm-Johnen-Str.
52428 Jülich
Tel.: +49 2461 61 6746
E-Mail: godehard.sutmann@rub.de
Competences
Parallel computing and numerics
Algorithms for classical many-particle systems
Fast algorithms for long range interactions
Particle based methods for mesoscopic hydrodynamics
Soft matter and statistical physics
- R. Halver, J. H. Meinke, G. Sutmann
Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability. Journal of Parallel and Distributed Computing, 138, 48-54, (2020) - R. Halver, J. Meinke, G. Sutmann
Examining performance portability with Kokkos for an Ewald sum Coulomb solver. Parallel Processing and Applied Mathematics, 12044, 35-45, (2020) - S. Schulz, G. Sutmann
A consistent boundary method for the material point method – using image particles to reduce boundary artefacts. Particles 2019, 522-533, (2020) - G. Sutmann
Multi-level load balancing for parallel particle simulations. Particles 2019, 80-92, (2019) - H. Hijar, R. Halver, G. Sutmann
Spontaneous fluctuations in mesoscopic simulations of nematic liquid crystals. Fluctuation and Noise Letters, 18, 1950011, (2019) - C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, G. Sutmann
Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP. International Journal of High Performance Computing Applications, 33, 227-241, (2019) - H. Ganesan, C. Teijeiro Barjas, G. Sutmann
Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres. Computational Materials Science, 155, 439-449, (2018) - R. Halver, W. Homberg, G. Sutmann
Benchmarking molecular dynamics with OpenCL on many-core architectures. Parallel Processing and Applied Mathematics, 10778, 244-253, (2018) - H. Ganesan, C. Begau, G. Sutmann
MC/MD coupling for scale bridging simulations of solute segregation in solids: An application study. Communications in Computer and Information Science, 889, 112-127, (2018) - R. Halver, W. Homberg, G. Sutmann
Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL. The journal of supercomputing, 74, 1522-1533, (2018) - G. Sutmann, H. Ganesan, C. Begau
Cluster formation in stochastic disk systems. AIP Conference Proceedings, 1863, 560089, (2017) - M. Tegeler, O. Shchyglo, R. Darvishi Kamachali, A. Monas, et al.
Parallel multiphase field simulations with OpenPhase. Computer Physics Communications, 215, 173 - 187, (2017) - C. Teijeiro Barjas, H. Ganesan, R. Halver, W. Homberg, G. Sutmann
Towards a flexible cell-based framework for parallel scale-bridging simulations in materials science: A first case study. Proceedings of the 5th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Hungary, Paper 24, (2017) - H. Kobayashi, R. Halver, G. Sutmann, R. G. Winkler
Polymer conformations in ionic microgels in the presence of salt: Theoretical and mesoscale simulation results. Polymers, 9, 1-19, (2017) - C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, G. Sutmann
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations. Computer Physics Communications, 204, 64-73, (2016) - G. Sutmann
Green’s function enriched Poisson solver for electrostatics in many-particle systems. Proceedings of the International Conference on Numerical Analysis and Applied Mathematics, 1738, 480092, (2016) - R. Halver, G. Sutmann
Multi-threaded construction of neighbour lists for particle systems in OpenMP. Parallel Processing and Applied Mathematics, 9574, 153-165, (2016) - C. Teijeiro Barjas, T. Hammerschmidt, B. Seiser, R. Drautz, G. Sutmann
Complexity analysis of simulations with analytic bond-order potentials. Modelling and Simulation in Materials Science and Engineering, 24, 025008, (2016) - T. Wang, C. Begau, G. Sutmann, A. Hartmaier
Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper. Surface and Coatings Technology, 280, 72-80, (2015) - C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, G. Sutmann
Parallel bond order potentials for materials science simulations. Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, (2015) - M. Tegeler, A. Monas, G. Sutmann
Massively parallel multiphase field simulations. Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, (2015) - C. Begau, G. Sutmann
Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations. Computer Physics Communications, 190, 51-61, (2015) - C. Teijeiro Barjas, G. Sutmann, G. L. Taboada, J. Touriño
Parallel simulation of Brownian dynamics on shared memory systems with OpenMP and Unified Parallel C. Journal of Supercomputing, 65, 1050-1062, (2013) - C. Teijeiro Barjas, G. Sutmann, G. L. Taboada, J. Touriño
Parallel Brownian dynamics simulations with the message-passing and PGAS programming models. Computer Physics Communications, 184, 1191–1202, (2013) - H. Hijar, G. Sutmann
Hydrodynamic fluctuations in thermostated multiparticle collision dynamics. Physical Review E, 83, 046708, (2011) - C.C. Huang, R.G. Winkler, G. Sutmann, G. Gompper
Tumbling of polymers in semidilute solution under shear flow. European Physics Letters, 93, 54004, (2011) - A. Schiller, G. Sutmann, L. Martinell, P. Bellens, R.M. Badia
Multiparticle collision dynamics on the cell broadband engine using CellSs. Proceedings of the Second International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, 69, (2011) - C.C. Huang, R.G. Winkler, G. Sutmann, G. Gompper
Semidilute polymer solutions at equilibrium and under shear flow. Macromolecules, 43, 10107-10116, (2010) - A. Schiller, G. Sutmann, L. Martinell, P. Bellens, R.M. Badia
Particle methods on multicore architectures: experiences and future plans. Proceedings of the international conference on numerical analysis and applied mathematics 010 (ICNAAM 2010), 1281, 1797 - 1800, (2010) - C.C. Huang, A. Chatterji, G. Sutmann, G. Gompper, R.G. Winkler
Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations. Journal of Computational Physics, 229, 168-177, (2010) - G. Sutmann, L. Westphal, M. Bolten
Particle based simulations of complex systems with MP2C: hydrodynamics and electrostatics. AIP Conference Proceedings, 1281, 1768-1772, (2010) - J. Freche, W. Frings, G. Sutmann
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, 19, 371-378, (2010) - V. Calandrini, G. Sutmann, A. Deriu, G.R. Kneller
Rigid molecule approximation in memory function-based models for molecular liquids: application to liquid water. Zeitschrift für Physikalische Chemie, 223, 957-978, (2009) - A. Schiller, G. Sutmann, L. Yang
A fast wavelet based implementation to calculate coulomb potentials on the Cell/B.E.. HPCC '08. 10th IEEE International Conference on High Performance Computing and Communications, 2008., 162-168, (2008) - H. Híjar, G. Sutmann
Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods. Journal of Statistical Mechanics: Theory and Experiment (JSTAT), 7, 07012, (2008) - G.R. Kneller, K. Hinsen, G. Sutmann, V. Calandrini
Scaling laws and memory effects in the dynamics of liquids and proteins. Physics of Particles and Nuclei Letters, 5, 189-195, (2008) - H. Híjar, J. Quintana, G. Sutmann
Probability distributions of Hamiltonian changes in linear magnetic systems under discontinuous perturbations. Journal of Statistical Mechanics: Theory and Experiment (JSTAT), 2008, P05009, (2008) - V. Chihaia, G. Sutmann, C.S. Lee, S.H. Suh
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, 795 -808, (2007) - M. Bolten, G. Sutmann
NFFT based extension of a particle simulation method using multigrid. Proceedings in Applied Mathematics and Mechanics, 7, 2140005 -214000, (2007) - H. Híjar, J. Quintana, G. Sutmann
Non-equilibrium work theorems for the two-dimensional Ising model. Journal of Statistical Mechanics: Theory and Experiment (JSTAT), 1, 04010, (2007) - G. Sutmann
Compact finite difference schemes of sixth order for the Helmholtz equation. Journal of Computational and Applied Mathematics, 203, 15-31, (2007) - J. Peón, J. Saucedo-Zugazagoitia, F. Pucheta-Mendez, R.A. Perusquía, et al.
Two-dimensional chiral model for liquid crystals, bent hard needles: a Monte Carlo simulation. Journal of Chemical Physics, 125, 104908, (2006) - G. Sutmann, V. Stegailov
Optimization of neighbor list techniques in liquid matter simulations. Journal of Molecular Liquids, 125, 197-203, (2006) - G. Sutmann, B. Steffen
High-order compact solvers for the three-dimensional Poisson equation. Journal of Computational and Applied Mathematics, 187, 142-170, (2006) - V. Calandrini, G. Sutmann, A. Deriu, G.R. Kneller
Role of effective atomic masses in memory function-based models for liquids: a simulation study of liquid water. Journal of Chemical Physics, 125, 236102, (2006) - G. Sutmann, B. Steffen
A particle–particle particle-multigrid method for long-range interactions in molecular simulations. Computer Physics Communications, 169, 343-346, (2005) - G.R. Kneller, G. Sutmann
Scaling of the memory function and Brownian motion. Journal of Chemical Physics, 120, 1667, (2004) - E. Pomplun, G. Sutmann
Is Coulomb explosion a damaging mechanism for 125UdR?. International Journal of Radiation Biology, 80, 855-860, (2004) - G.R. Kneller, K. Hinsen, G. Sutmann
Mass and size effects on the memory function of tracer particles. Journal of Chemical Physics, 118, 5283-5286, (2003) - U. Balucani, D. Pasqualin, G. Garberoglio, R. Vallauri, G. Sutmann
Collective dynamics of liquid HCl: the density–density and longitudinal current correlations. Journal of Chemical Physics, 118, 202-208, (2003) - G. Garberoglio, R. Vallauria, G. Sutmann
Instantaneous normal mode analysis of correlated cluster motions in hydrogen bonded liquids. Journal of Chemical Physics, 117, 3278-3288, (2002) - G. Sutmann, B. Steffen
Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle. Computer Physics Communications, 147, 374-377, (2002) - H.M. Harreis, A.A. Kornyshev, C.N. Likos, H. Löwen, G. Sutmann
Phase behavior of columnar DNA assemblies. Physical Review Letters, 89, 018303, (2002) - A. M. Berezhkovskii, G. Sutmann
Time and length scales for diffusion in liquids. Physical Review E, 65, 060201, (2002) - G. Sutmann, R. Vallauri
Dynamics of the hydrogen bond network in liquid water. Journal of Molecular Liquids, 98-99, 213-224, (2002) - G. Garberoglio, D. Pasqualini, G. Sutmann, R. Vallauri
Dynamical properties of hydrogen bonded liquids. Journal of Molecular Liquids, 96-97, 19-29, (2002)
- 14.10.2020
Godehard Sutmann, M. Longsworth, Hariprasath Ganesan
Simulation of segregation in parallel hybrid MD/MC simulations invited
Conference on computational physics, Moscow, Russia - 23.06.2020
Godehard Sutmann
Hierarchical load-balancing for particle- and mesh-based simulations invited
Jülich Supercomputing Centre, Germany Computational Science Division Seminar - 30.10.2019
Stephan Schulz, Godehard Sutmann
A consistent boundary method for the material point method - using image particles to reduce boundary artefacts
Particles 2019 VI International Conference on Particle-Based Methods, Barcelona, Spain - 29.10.2019
Godehard Sutmann
Multi-level load balancing for particle simulation methods invited
Particles Conference 2019 VI International Conference on Particle-Based Methods, Barcelona, Spain - 14.08.2019
Godehard Sutmann, Rene Halver
A load balancing library for particle simulations - ALL
LAMMPS User Workshop Albuquerque, USA - 03.06.2019
Godehard Sutmann
Introduction to load balancing
Jülich Supercomputing Centre, Germany E-CAM International Workshop - 20.03.2019
Godehard Sutmann
Parallel computing of complex systems II invited
IFF Spring School 2019, Scattering! Soft, Functional and Quantum Materials, Jülich,Germany - 25.06.2018
Godehard Sutmann
Advances in stochastic optimization applied to interstitial segregation
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Stephan Schulz, Godehard Sutmann
Massively parallel Euler-Lagrangian method for elasto-plastic materials deformation
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 30.05.2017
Carlos Teijeiro Barjas, Hariprasath Ganesan, Rene Halver, Wilhelm Homberg, Godehard Sutmann
Towards a flexible cell-based framework for parallel scale-bridging simulations in materials science: A first case study
5th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Pécs, Hungary - 09.05.2017
Thomas Hammerschmidt, Alvin Ladines, Sebastian Schreiber, Jan Jenke, et al.
High-performance computing with analytic bond-order potentials
ICAMS Advanced Discussions, Bochum, Germany - 27.09.2016
Alexander Hartmaier, Christoph Begau, Godehard Sutmann
Free energy function of dislocation densities by large scale atomistic simulation
MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany - 19.11.2015
Hariprasath Ganesan, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic iron
RUB Research Day 2015, Bochum, Germany - 05.10.2015
Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Free energy function of dislocation densities by large scale atomistic simulations
Nanomechanical Testing in Materials Research and Development V, Albufeira, Portugal - 22.09.2015
Hariprasath Ganesan, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic iron
Euromat 2015, Warsaw, Poland - 25.03.2015
Marvin Tegeler, Alexander Monas, Godehard Sutmann
Massively parallel multiphase field simulations
4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Dubrovnik, Croatia - 25.03.2015
Carlos Teijeiro Barjas, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann
Parallel bond order potentials for materials science simulations
4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (PARENG 2015), Dubrovnik, Croatia - 06.10.2014
Christoph Begau, Godehard Sutmann
Dynamic load balancing and defect detection invited
CECAM Workshop - Particle-based Simulations for Hard and Soft Matter, Stuttgart, Germany - 23.09.2014
Marvin Tegeler, Oleg Shchyglo, Alexander Monas, Ingo Steinbach, Godehard Sutmann
Efficient parallelization of OpenPhase for massively parallel computers
Materials Science and Engineering MSE, Darmstadt, Germany - 10.12.2013
Christoph Begau, Godehard Sutmann
Adaptive load-balancing in particle simulations with short-range interaction invited
Seminar zur Physik der kondensierten Materie, Universität Stuttgart, Germany - 05.12.2013
Tao Wang, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Large-scale molecular dynamics simulating of growth, microstructure and properties of plasma-spray coatings
Institute of Energy and Climate Research (IEK-1), Forschungszentrum Jülich, Jülich, Germany - 12.11.2013
Tao Wang, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Large-scale molecular dynamics simulation of growth, microstructure and properties of plasma-spray coatings
ICAMS Advanced Discussions, Bochum, Germany - 06.05.2013
Godehard Sutmann
Particle based hydrodynamics and flow simulations on massively parallel computers
ICAMS² 2013, International Colloquium on Advanced Materials Simulation, Bochum, Germany
Professional Experience
Since 2017 Professor for High-Performance Computing in Materials Science at Ruhr-Universität BochumPostdoc at University of Trento in Italy
Since 1998 working at the Jülich Supercomputing Centre
Deputy head of the Computational Science division and head of the Simulation Laboratory "Molecular Systems"
Director of the Jülich CECAM Node (Centre Europeen de Calcul Atomique et Moleculaire)
Education
Dipl.-Phys., Physics, Universitäten in Göttingen, Montpellier and Heidelberg
PhD, Theoretical Physics, Forschungszentrum Jülich/Technical University of Munich