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research:projects:talpas:start [2019-07-30 21:17]
Philipp Neumann
research:projects:talpas:start [2019-12-06 00:08] (current)
Philipp Neumann
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 ===== Coordinators ===== ===== Coordinators =====
-[[::​people::​philipp_neumann]], Universität Hamburg+[[https://​www.hsu-hh.de/​hpc/​philipp-neumann/​|Prof. Dr. Philipp Neumann]], Helmut-Schmidt-Universität Hamburg
  
 [[https://​www5.in.tum.de/​wiki/​index.php/​Univ.-Prof._Dr._Hans-Joachim_Bungartz|Prof. Dr. Hans-Joachim Bungartz]], Technische Universität München [[https://​www5.in.tum.de/​wiki/​index.php/​Univ.-Prof._Dr._Hans-Joachim_Bungartz|Prof. Dr. Hans-Joachim Bungartz]], Technische Universität München
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 {{ :​research:​projects:​talpas:​bmbf-logo.png?​150|}} {{ :​research:​projects:​talpas:​bmbf-logo.png?​150|}}
  
-[[people:thomas_ludwig]], [[::people::​philipp_neumann]], Universität Hamburg+[[https://​www.hsu-hh.de/​hpc/​philipp-neumann/​|Prof. Dr. Philipp Neumann]], Helmut-Schmidt-Universität Hamburg 
 + 
 +[[people:thomas_ludwig]], Universität Hamburg
  
 [[https://​www5.in.tum.de/​wiki/​index.php/​Univ.-Prof._Dr._Hans-Joachim_Bungartz|Prof Dr. Hans-Joachim Bungartz]], [[http://​www5.in.tum.de/​wiki/​index.php/​Nikola_Tchipev,​_M.Sc.|Nikola Tchipev]], [[https://​www5.in.tum.de/​wiki/​index.php/​Fabio_Gratl,​_M.Sc.|Fabio Gratl]], [[http://​www5.in.tum.de/​wiki/​index.php/​Steffen_Seckler,​_M.Sc._(hons)|Steffen Seckler]], Technische Universität München [[https://​www5.in.tum.de/​wiki/​index.php/​Univ.-Prof._Dr._Hans-Joachim_Bungartz|Prof Dr. Hans-Joachim Bungartz]], [[http://​www5.in.tum.de/​wiki/​index.php/​Nikola_Tchipev,​_M.Sc.|Nikola Tchipev]], [[https://​www5.in.tum.de/​wiki/​index.php/​Fabio_Gratl,​_M.Sc.|Fabio Gratl]], [[http://​www5.in.tum.de/​wiki/​index.php/​Steffen_Seckler,​_M.Sc._(hons)|Steffen Seckler]], Technische Universität München
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 ===== Contact ===== ===== Contact =====
-Dr. Philipp Neumann, [[philipp.neumann@uni-hamburg.de]]+Prof. Dr. Philipp Neumann, [[philipp.neumann@hsu-hh.de]]
  
 ===== Publications ===== ===== Publications =====
-P. Neumann. //Sparse Grid Regression for Performance Prediction Using High-Dimensional Run Time Data. // Accepted for publication in Euro-Par 2019: Parallel Processing Workshops, 2019+M. Horsch, C. Niethammer, G. Boccardo, P. Carbone, S. Chiacchiera,​ M. Chiricotto, J. Elliott, V. Lobaskin, P. Neumann, P. Schiffels, M. Seaton, I. Todorov, J. Vrabec, W. Cavalcanti. //Semantic interoperability and characterization of data 
 +provenance in computational molecular engineering.//​ Accepted for publication in Journal of Chemical & Engineering Data, 2019 
 + 
 +T. Rau, P. Gralka, O. Fernandes, G. Reina, S. Frey, T. Ertl. //The impact of work distribution on in situ visualization:​ a case study.// ISAV '19 Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization,​ pp. 17-22, 2019 
 + 
 +O. Fernandes, S. Frey, G. Reina, T. Ertl. //Visual Representation of Region Transitions in Multi-dimensional Parameter Spaces.// Accepted for Smart Tools and Apps for Graphics - Eurographics Italian Chapter Conference, 2019 
 + 
 +S. Seckler, F. Gratl, N. Tchipev, M. Heinen, J. Vrabec, H.-J. Bungartz, P. Neumann. //Load Balancing and Auto-Tuning for 
 +Heterogeneous Particle Systems using ls1 mardyn.// Accepted for publication in High Performance Computing in Science and Engineering '19, 2019 
 + 
 +S. Stephan, M.T. Horsch, J. Vrabec, H. Hasse. //MolMod - an open access database of force fields for molecular simulations of fluids.// Molecular Simulation 45(10):​806-814,​ 2019 
 + 
 +S. Stephan, M. Thol, J. Vrabec, H. Hasse. //​Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment.//​ Journal of Chemical Information and Modeling 59:​4248-4265,​ 2019 
 + 
 +P. Neumann. //Sparse Grid Regression for Performance Prediction Using High-Dimensional Run Time Data.// Accepted for publication in Euro-Par 2019: Parallel Processing Workshops, 2019
  
 F. Gratl, S. Seckler, N. Tchipev, H.-J. Bungartz, P. Neumann. //AutoPas: Auto-Tuning for Particle Simulations.//​ Accepted for workshop iWAPT at IPDPS, 2019 F. Gratl, S. Seckler, N. Tchipev, H.-J. Bungartz, P. Neumann. //AutoPas: Auto-Tuning for Particle Simulations.//​ Accepted for workshop iWAPT at IPDPS, 2019
 +
 +P. Neumann, N. Tchipev, S. Seckler, M. Heinen, J. Vrabec, H.-J. Bungartz. //PetaFLOP Molecular Dynamics for Engineering Applications.//​ High Performance Computing in Science and Engineering '18, pp. 397-407, 2019
  
 N. Tchipev, S. Seckler, M. Heinen, J. Vrabec, F. Gratl, M. Horsch, M. Bernreuther,​ C.W. Glass, C. Niethammer, N. Hammer, B. Krischok, M. Resch, D. Kranzlmüller,​ H. Hasse, H.-J. Bungartz, P. Neumann. //TweTriS: Twenty Trillion-atom Simulation.//​ Accepted for publication in International Journal of High Performance Computing Applications,​ 2018 N. Tchipev, S. Seckler, M. Heinen, J. Vrabec, F. Gratl, M. Horsch, M. Bernreuther,​ C.W. Glass, C. Niethammer, N. Hammer, B. Krischok, M. Resch, D. Kranzlmüller,​ H. Hasse, H.-J. Bungartz, P. Neumann. //TweTriS: Twenty Trillion-atom Simulation.//​ Accepted for publication in International Journal of High Performance Computing Applications,​ 2018
  
 S. Shudler, J. Vrabec, F. Wolf. //​Understanding the Scalability of Molecular Simulation using Empirical Performance Modeling.// Accepted for publication at the workshop for extreme-scale programming tools (ESPT) at SC18, 2018 S. Shudler, J. Vrabec, F. Wolf. //​Understanding the Scalability of Molecular Simulation using Empirical Performance Modeling.// Accepted for publication at the workshop for extreme-scale programming tools (ESPT) at SC18, 2018
- 
-P. Neumann, N. Tchipev, S. Seckler, M. Heinen, J. Vrabec, H.-J. Bungartz. //PetaFLOP Molecular Dynamics for Engineering Applications.//​ Accepted for publication in High Performance Computing in Science and Engineering '18, 2018 
  
 E.J. Garcia, D. Bhandary, M.T. Horsch, H. Hasse. //A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water.// Journal of Molecular Liquids, in press, 2018. E.J. Garcia, D. Bhandary, M.T. Horsch, H. Hasse. //A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water.// Journal of Molecular Liquids, in press, 2018.
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 ===== Talks and Posters ===== ===== Talks and Posters =====
 +
 +P. Neumann et al. //TaLPas: Task-Based Load Balancing and Auto-Tuning in Particle Simulations.//​ Gauß-Allianz HPC-Status-Konferenz,​ Paderborn, 2019
 +
 +S. Seckler et al. //Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn.// HLRS Results and Review Workshop, Stuttgart, 2019
 +
 +P. Neumann. //Sparse Grid Regression for Performance Prediction Using High-Dimensional Run Time Data.// Euro-Par 2019: Parallel Processing Workshops (iWAPT), 2019
  
 P. Neumann. //TaLPas: Task-Based Load Balancing and Auto-Tuning in Particle Simulations.//​ Poster in ISC HPC Project Poster Track, Frankfurt, 2019 P. Neumann. //TaLPas: Task-Based Load Balancing and Auto-Tuning in Particle Simulations.//​ Poster in ISC HPC Project Poster Track, Frankfurt, 2019
research/projects/talpas/start.1564514274.txt.gz · Last modified: 2019-07-30 21:17 by Philipp Neumann