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ORCIDSupercomputing Frontiers and Innovations, Volume 7
Volume 7, Number 1, 2020
- Kira Duwe, Jakob Lüttgau
, Georgiana Mania, Jannek Squar, Anna Fuchs, Michael Kuhn, Eugen Betke, Thomas Ludwig:
State of the Art and Future Trends in Data Reduction for High-Performance Computing. 4-36 - Kento Aoyama, Masanori Kakuta, Yuri Matsuzaki, Takashi Ishida, Masahito Ohue, Yutaka Akiyama:
Development of Computational Pipeline Software for Genome/Exome Analysis on the K Computer. 37-54 - Oleg V. Loginovsky, Alexander L. Shestakov, Alexander A. Shinkarev:
Supercomputing Technologies as Drive for Development of Enterprise Information Systems and Digital Economy. 55-70 - Mulya Agung, Muhammad Alfian Amrizal, Ryusuke Egawa, Hiroyuki Takizawa:
Online MPI Process Mapping for Coordinating Locality and Memory Congestion on NUMA Systems. 71-90 - Michael Knobloch, Bernd Mohr:
Tools for GPU Computing - Debugging and Performance Analysis of Heterogenous HPC Applications. 91-111 - Dylan Chapp, Victoria Stodden, Michela Taufer:
Building a Vision for Reproducibility in the Cyberinfrastructure Ecosystem: Leveraging Community Efforts. 112-129
Volume 7, Number 2, 2020
- Alexey I. Dordopulo, Ilya I. Levin:
Performance Reduction For Automatic Development of Parallel Applications For Reconfigurable Computer Systems. 4-23 - Karol Niedzielewski, Marcin Semeniuk, Jaroslaw Skomial, Jerzy Proficz, Piotr Sumioka, Bartosz Pliszka, Marek T. Michalewicz:
Long Distance Geographically Distributed InfiniBand Based Computing. 24-34 - Julian M. Kunkel, Luciana R. Pedro:
Potential of I/O Aware Workflows in Climate and Weather. 35-53 - Johannes Hofmann, Christie L. Alappat, Georg Hager, Dietmar Fey, Gerhard Wellein:
Bridging the Architecture Gap: Abstracting Performance-Relevant Properties of Modern Server Processors. 54-78 - Carlos Osuna, Tobias Wicky, Fabian Thuering, Torsten Hoefler, Oliver Fuhrer:
Dawn: a High-level Domain-Specific Language Compiler Toolchain for Weather and Climate Applications. 79-97
Volume 7, Number 3, 2020
- Christoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, Haribabu Arthanari:
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method. - Jun Xu, Jiming Ye:
Perspectives on Supercomputing and Artificial Intelligence Applications in Drug Discovery. - Alexander V. Nemukhin, Bella L. Grigorenko, Igor V. Polyakov, Sofya V. Lushchekina:
Computational Modeling of the SARS-CoV-2 Main Protease Inhibition by the Covalent Binding of Prospective Drug Molecules. - Maria G. Khrenova, Vladimir G. Tsirelson, Alexander V. Nemukhin:
Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease. - Alexey V. Sulimov, Danil C. Kutov, Anna S. Taschilova, Ivan S. Ilin, Nadezhda V. Stolpovskaya, Khidmet S. Shikhaliev, Vladimir B. Sulimov:
In Search of Non-covalent Inhibitors of SARS-CoV-2 Main Protease: Computer Aided Drug Design Using Docking and Quantum Chemistry. - Dmitry S. Druzhilovskiy, Leonid A. Stolbov, Polina I. Savosina, Pavel V. Pogodin, Dmitry Filimonov, Alexander V. Veselovsky, Karen Stefanisko, Nadya I. Tarasova, Marc C. Nicklaus, Vladimir Poroikov:
Computational Approaches To Identify A Hidden Pharmacological Potential In Large Chemical Libraries.
Volume 7, Number 4, 2020
- Takashi Soga, Kenta Yamaguchi, Raghunandan Mathur, Osamu Watanabe, Akihiro Musa, Ryusuke Egawa, Hiroaki Kobayashi:
Effects of Using a Memory Stalled Core for Handling MPI Communication Overlapping in the SOR Solver on SX-ACE and SX-Aurora TSUBASA. 4-15 - Rigel F. C. Alves, Andreas Knüpfer:
Enhancing the in Situ Visualization of Performance Data in Parallel CFD Applications. 16-31 - Michael R. Zielewski, Mulya Agung, Ryusuke Egawa, Hiroyuki Takizawa:
Improving Quantum Annealing Performance on Embedded Problems. 32-48 - Ilya V. Afanasyev:
Developing an Architecture-independent Graph Framework for Modern Vector Processors and NVIDIA GPUs. 49-61 - Vladimir A. Fedorov, Ekaterina G. Kholina, Ilya B. Kovalenko, Nikita B. Gudimchuk, Philipp S. Orekhov, Artem A. Zhmurov:
Update on Performance Analysis of Different Computational Architectures: Molecular Dynamics in Application to Protein-Protein Interactions. 62-67 - Vadim M. Volokhov, Elena S. Amosova, Alexander V. Volokhov, Tatiana S. Zyubina, David B. Lempert, Leonid S. Yanovskiy, Ilya D. Fateev:
Computer Design of Structure of Molecules of High-Energy Tetrazines. Calculation of Thermochemical Properties. 68-79
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