ICAMS Members
Prof. Dr. Godehard Sutmann
Research Group LeaderHigh-Performance Computing in Materials ScienceInstitute for Advanced Simulation (IAS)
Forschungszentrum Jülich
Wilhelm-Johnen-Str.
52428 Jülich
Tel. +49 2461 61 6746
Fax: +49 2461 61 6656
Email: Godehard Sutmann
Research Interests:
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.
, Parallel Processing and Applied Mathematics, Springer International Publishing, 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, International Centre for Numerical Methods in Engineering (CIMNE), Barcelona, Spain, 522-533, (2020)
- G. Sutmann.
Multi-level load balancing for parallel particle simulations, Particles 2019, International Centre for Numerical Methods in Engineering (CIMNE), Barcelona, Spain, 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, Springer International Publishing, 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 et al.
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, Civil-Comp Press, Stirlingshire, UK, 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, AIP Publishing LLC, New York, 1738, 480092, (2016)
- R. Halver, G. Sutmann.
Multi-threaded construction of neighbour lists for particle systems in OpenMP, Parallel Processing and Applied Mathematics, Springer Int. Publ. Switzerland, Cham, 9574, 153-165, (2016)
- C. Teijeiro Barjas, T. Hammerschmidt, B. Seiser, R. Drautz et al.
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, Civil-Comp Press, Stirlingshire, UK, (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, Civil-Comp Press, (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, Springer, Heidelberg, 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, Elsevier B.V., 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 et al.
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, Civil-Comp Press, Stirlingshire, UK, 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 et al.
Particle methods on multicore architectures: experiences and future plans, Proceedings of the international conference on numerical analysis and applied mathematics 010 (ICNAAM 2010), American Institute of Physics, 1281, 1797 - 1800, (2010)
- C.C. Huang, A. Chatterji, G. Sutmann, G. Gompper et al.
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, American Institute of Physics, 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., IEEE Computer Society, Dalian, China, 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)
- G. Sutmann.
Compact finite difference schemes of sixth order for the Helmholtz equation, Journal of Computational and Applied Mathematics, 203, 15-31, (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)
- M. Bolten, G. Sutmann.
NFFT based extension of a particle simulation method using multigrid, Proceedings in Applied Mathematics and Mechanics, John Wiley & Sons, New York, 7, 2140005 -214000, (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 et al.
Collective dynamics of liquid HCl: the density–density and longitudinal current correlations, Journal of Chemical Physics, 118, 202-208, (2003)
- G. Sutmann, B. Steffen.
Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle, Computer Physics Communications, Elsevier Science, Amsterdam, The Netherlands, 147, 374-377, (2002)
- 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)
- H.M. Harreis, A.A. Kornyshev, C.N. Likos, H. Löwen et al.
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)
- 14.10.2020Simulation of segregation in parallel hybrid MD/MC simulationsGodehard Sutmann, Hariprasath Ganesan
Conference on computational physics, Moscow, Russia
- 23.06.2020Hierarchical load-balancing for particle- and mesh-based simulationsGodehard Sutmann
Jülich Supercomputing Centre, Germany Computational Science Division Seminar
- 29.10.2019Multi-level load balancing for particle simulation methodsGodehard Sutmann
Particles Conference 2019 VI International Conference on Particle-Based Methods, Barcelona, Spain
- 20.03.2019Parallel computing of complex systems IIGodehard Sutmann
IFF Spring School 2019, Scattering! Soft, Functional and Quantum Materials, Jülich,Germany
- 06.10.2014Dynamic load balancing and defect detectionChristoph Begau, Godehard Sutmann
CECAM Workshop - Particle-based Simulations for Hard and Soft Matter, Stuttgart, Germany
- 10.12.2013Adaptive load-balancing in particle simulations with short-range interactionChristoph Begau, Godehard Sutmann
Seminar zur Physik der kondensierten Materie, Universität Stuttgart, Germany
- 30.10.2019A consistent boundary method for the material point method - using image particles to reduce boundary artefactsStephan Schulz, Godehard Sutmann
Particles 2019 VI International Conference on Particle-Based Methods, Barcelona, Spain
- 14.08.2019A load balancing library for particle simulations - ALLGodehard Sutmann, Rene Halver
LAMMPS User Workshop Albuquerque, USA
- 25.06.2018Advances in stochastic optimization applied to interstitial segregationGodehard Sutmann
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 25.06.2018Massively parallel Euler-Lagrangian method for elasto-plastic materials deformationStephan Schulz, Godehard Sutmann
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 30.05.2017Towards a flexible cell-based framework for parallel scale-bridging simulations in materials science: A first case studyCarlos Teijeiro Barjas, Hariprasath Ganesan, Rene Halver, Wilhelm Homberg, Godehard Sutmann
5th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Pécs, Hungary
- 09.05.2017High-performance computing with analytic bond-order potentialsThomas Hammerschmidt, Alvin Noe Collado Ladines, Sebastian Schreiber, Jan Jenke, Ning Wang, Miroslav Čák, Carlos Teijeiro Barjas, Godehard Sutmann, Ralf Drautz
ICAMS Advanced Discussions, Bochum, Germany
- 19.11.2015Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic ironHariprasath Ganesan, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
RUB Research Day 2015, Bochum, Germany
- 05.10.2015Free energy function of dislocation densities by large scale atomistic simulationsChristoph Begau, Godehard Sutmann, Alexander Hartmaier
Nanomechanical Testing in Materials Research and Development V, Albufeira, Portugal
- 22.09.2015Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic ironHariprasath Ganesan, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Euromat 2015, Warsaw, Poland
- 25.03.2015Massively parallel multiphase field simulationsMarvin Tegeler, Alexander Monas, Godehard Sutmann
4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Dubrovnik, Croatia
- 25.03.2015Parallel bond order potentials for materials science simulationsCarlos Teijeiro Barjas, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann
4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (PARENG 2015), Dubrovnik, Croatia
- 23.09.2014Efficient parallelization of OpenPhase for massively parallel computersMarvin Tegeler, Oleg Shchyglo, Alexander Monas, Ingo Steinbach, Godehard Sutmann
Materials Science and Engineering MSE, Darmstadt, Germany
- 05.12.2013Large-scale molecular dynamics simulating of growth, microstructure and properties of plasma-spray coatingsTao Wang, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
Institute of Energy and Climate Research (IEK-1), Forschungszentrum Jülich, Jülich, Germany
- 12.11.2013Large-scale molecular dynamics simulation of growth, microstructure and properties of plasma-spray coatingsTao Wang, Christoph Begau, Godehard Sutmann, Alexander Hartmaier
ICAMS Advanced Discussions, Bochum, Germany
- 06.05.2013Particle based hydrodynamics and flow simulations on massively parallel computersGodehard Sutmann
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 Bochum
Postdoc 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
Study of Physics in Göttingen, Montpellier and Heidelberg,
PhD at Forschungszentrum Jülich/Technical University of Munich in Theoretical Physics
