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ORCIDGerald Mathias
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2020 – today
- 2021
[j1]Tobias Klöffel, Gerald Mathias
, Bernd Meyer:
Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers. Comput. Phys. Commun. 260: 107745 (2021)- [c2]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Dieter Kranzlmüller, Thorsten Kurth, Hyungro Lee, Zhuozhao Li, Heng Ma, Gerald Mathias, André Merzky, Alexander Partin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Anda Trifan, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling, Junqi Yin:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 2021: 40:1-40:12 - [i4]Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney:
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR abs/2103.02843 (2021) - 2020
- [i3]Tobias Klöffel, Gerald Mathias, Bernd Meyer:
Integrating State of the Art Compute, Communication, and Autotuning Strategies to Multiply the Performance of the Application Programm CPMD for Ab Initio Molecular Dynamics Simulations. CoRR abs/2003.08477 (2020) - [i2]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Thorsten Kurth, Dieter Kranzlmüller, Hyungro Lee, Zhuozhao Li, Heng Ma, André Merzky, Gerald Mathias, Alexander Partin, Junqi Yin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR abs/2010.06574 (2020)
2010 – 2019
- 2016
- [i1]Nicolay Hammer, Ferdinand Jamitzky, Helmut Satzger, Momme Allalen, Alexander Block, Anupam Karmakar, Matthias Brehm, Reinhold Bader, Luigi Iapichino, Antonio Ragagnin, Vasilios Karakasis, Dieter Kranzlmüller, Arndt Bode, Herbert Huber, Martin Kühn, Rui Machado, Daniel Grünewald, Philipp V. F. Edelmann, Friedrich K. Röpke, Markus Wittmann, Thomas Zeiser, Gerhard Wellein, Gerald Mathias, Magnus Schwörer, Konstantin Lorenzen, Christoph Federrath, Ralf Klessen, Karl-Ulrich Bamberg, Hartmut Ruhl, Florian Schornbaum, Martin Bauer, Anand Nikhil, Jiaxing Qi, Harald Klimach, Hinnerk Stüben, Abhishek Deshmukh, Tobias Falkenstein, Klaus Dolag, Margarita Petkova:
Extreme Scale-out SuperMUC Phase 2 - lessons learned. CoRR abs/1609.01507 (2016) - 2015
- [c1]Nicolay Hammer, Ferdinand Jamitzky, Helmut Satzger, Momme Allalen, Alexander Block, Anupam Karmakar, Matthias Brehm, Reinhold Bader, Luigi Iapichino, Antonio Ragagnin, Vasilios Karakasis, Dieter Kranzlmüller, Arndt Bode, Herbert Huber, Martin Kühn, Rui Machado, Daniel Grünewald, Philipp V. F. Edelmann, Friedrich K. Röpke, Markus Wittmann, Thomas Zeiser, Gerhard Wellein, Gerald Mathias, Magnus Schwörer, Konstantin Lorenzen, Christoph Federrath, Ralf Klessen, Karl-Ulrich Bamberg, Hartmut Ruhl, Florian Schornbaum, Martin Bauer, Anand Nikhil, Jiaxing Qi, Harald Klimach, Hinnerk Stüben, Abhishek Deshmukh, Tobias Falkenstein, Klaus Dolag, Margarita Petkova:
Extreme Scale-out SuperMUC Phase 2 - lessons learned. PARCO 2015: 827-836
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