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Shantenu Jha
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- affiliation: Rutgers University, Piscataway, NJ, USA
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2020 – today
- 2024
- [j41]Rafael Ferreira da Silva, Rosa M. Badia, Deborah Bard, Ian T. Foster, Shantenu Jha, Frédéric Suter:
Frontiers in Scientific Workflows: Pervasive Integration With High-Performance Computing. Computer 57(8): 36-44 (2024) - [j40]Xihaier Luo, Seyednami Niyakan, Patrick R. Johnstone, Sean McCorkle, Gilchan Park, Vanessa López-Marrero, Shinjae Yoo, Edward R. Dougherty, Xiaoning Qian, Francis J. Alexander, Shantenu Jha, Byung-Jun Yoon:
Pathway-based analyses of gene expression profiles at low doses of ionizing radiation. Frontiers Bioinform. 4 (2024) - [j39]Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, Christopher Codella, Antonio D. Córcoles, James Cruise, Alberto Di Meglio, Ivan Duran, Thomas Eckl, Sophia E. Economou, Stephan J. Eidenbenz, Bruce Elmegreen, Clyde Fare, Ismael Faro, Cristina Sanz Fernández, Rodrigo Neumann Barros Ferreira, Keisuke Fuji, Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi, Pranav Gokhale, Salvador de la Puente Gonzalez, Johannes Greiner, Bill Gropp, Michele Grossi, Emanuel Gull, Burns Healy, Matthew R. Hermes, Benchen Huang, Travis S. Humble, Nobuyasu Ito, Artur F. Izmaylov, Ali Javadi-Abhari, Douglas M. Jennewein, Shantenu Jha, Liang Jiang, Barbara Jones, Wibe Albert de Jong, Petar Jurcevic, William M. Kirby, Stefan Kister, Masahiro Kitagawa, Joel Klassen, Katherine Klymko, Kwangwon Koh, Masaaki Kondo, Doga Murat Kürkçüoglu, Krzysztof Kurowski, Teodoro Laino, Ryan Landfield, Matthew L. Leininger, Vicente Leyton-Ortega, Ang Li, Meifeng Lin, Junyu Liu, Nicolás Lorente, André Luckow, Simon Martiel, Francisco Martín-Fernández, Margaret Martonosi, Claire Marvinney, Arcesio Castañeda Medina, Dirk Merten, Antonio Mezzacapo, Kristel Michielsen, Abhishek Mitra, Tushar Mittal, Kyungsun Moon, Joel Moore, Sarah Mostame, Mario Motta, Young-Hye Na, Yunseong Nam, Prineha Narang, Yu-ya Ohnishi, Daniele Ottaviani, Matthew Otten, Scott Pakin, Vincent R. Pascuzzi, Edwin Pednault, Tomasz Piontek, Jed Pitera, Patrick Rall, Gokul Subramanian Ravi, Niall Robertson, Matteo A. C. Rossi, Piotr Rydlichowski, Hoon Ryu, Georgy Samsonidze, Mitsuhisa Sato, Nishant Saurabh, Vidushi Sharma, Kunal Sharma, Soyoung Shin, George Slessman, Mathias Steiner, Iskandar Sitdikov, In-Saeng Suh, Eric D. Switzer, Wei Tang, Joel Thompson, Synge Todo, Minh C. Tran, Dimitar Trenev, Christian Trott, Huan-Hsin Tseng, Norm M. Tubman, Esin Tureci, David García Valiñas, Sofia Vallecorsa, Christopher Wever, Konrad Wojciechowski, Xiaodi Wu, Shinjae Yoo, Nobuyuki Yoshioka, Victor Wen-zhe Yu, Seiji Yunoki, Sergiy Zhuk, Dmitry Zubarev:
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions. Future Gener. Comput. Syst. 160: 666-710 (2024) - [c95]Ozgur O. Kilic, Tianle Wang, Matteo Turilli, Mikhail Titov, André Merzky, Line Pouchard, Shantenu Jha:
Workflow Mini-Apps: Portable, Scalable, Tunable & Faithful Representations of Scientific Workflows. CCGrid 2024: 465-477 - [c94]Aymen Alsaadi, Matteo Turilli, Shantenu Jha:
Hydra: Brokering Cloud and HPC Resources to Support the Execution of Heterogeneous Workloads at Scale. FlexScience@HPDC 2024: 26-33 - [c93]Dewi Yokelson, Mikhail Titov, Srinivasan Ramesh, Ozgur O. Kilic, Matteo Turilli, Shantenu Jha, Allen D. Malony:
Enabling Performance Observability for Heterogeneous HPC Workflows with SOMA. ICPP 2024: 220-230 - [i77]Arup Kumar Sarker, Aymen Alsaadi, Niranda Perera, Mills Staylor, Gregor von Laszewski, Matteo Turilli, Ozgur Ozan Kilic, Mikhail Titov, André Merzky, Shantenu Jha, Geoffrey C. Fox:
Design and Implementation of an Analysis Pipeline for Heterogeneous Data. CoRR abs/2403.15721 (2024) - [i76]Ozgur Ozan Kilic, Tianle Wang, Matteo Turilli, Mikhail Titov, André Merzky, Line Pouchard, Shantenu Jha:
Workflow Mini-Apps: Portable, Scalable, Tunable & Faithful Representations of Scientific Workflows. CoRR abs/2403.18073 (2024) - [i75]Nishant Saurabh, Pradeep Kumar Mantha, Florian J. Kiwit, Shantenu Jha, André Luckow:
Quantum Mini-Apps: A Framework for Developing and Benchmarking Quantum-HPC Applications. CoRR abs/2405.07333 (2024) - [i74]Wes Brewer, Ana Gainaru, Frédéric Suter, Feiyi Wang, Murali Emani, Shantenu Jha:
AI-coupled HPC Workflow Applications, Middleware and Performance. CoRR abs/2406.14315 (2024) - [i73]Mikhail Titov, Robert Carson, Matthew Rolchigo, John Coleman, James F. Belak, Matthew T. Bement, Daniel E. Laney, Matteo Turilli, Shantenu Jha:
Scaling on Frontier: Uncertainty Quantification Workflow Applications using ExaWorks to Enable Full System Utilization. CoRR abs/2407.01484 (2024) - [i72]Pradeep Bajracharya, Javier Quetzalcóatl Toledo-Marín, Geoffrey C. Fox, Shantenu Jha, Linwei Wang:
Feasibility Study on Active Learning of Smart Surrogates for Scientific Simulations. CoRR abs/2407.07674 (2024) - [i71]Aymen Alsaadi, Shantenu Jha, Matteo Turilli:
Hydra: Brokering Cloud and HPC Resources to Support the Execution of Heterogeneous Workloads at Scale. CoRR abs/2407.11967 (2024) - [i70]Matteo Turilli, Mihael Hategan-Marandiuc, Mikhail Titov, Ketan Maheshwari, Aymen Alsaadi, André Merzky, Ramon Arambula, Mikhail Zakharchanka, Matt Cowan, Justin M. Wozniak, Andreas Wilke, Ozgur Ozan Kilic, Kyle Chard, Rafael Ferreira da Silva, Shantenu Jha, Daniel E. Laney:
ExaWorks Software Development Kit: A Robust and Scalable Collection of Interoperable Workflow Technologies. CoRR abs/2407.16646 (2024) - [i69]Rafael Ferreira da Silva, Deborah Bard, Kyle Chard, Shaun De Witt, Ian T. Foster, Tom Gibbs, Carole A. Goble, William F. Godoy, Johan Gustafsson, Utz-Uwe Haus, Stephen Hudson, Shantenu Jha, Laila Los, Drew Paine, Frédéric Suter, Logan T. Ward, Sean R. Wilkinson, Marcos Amaris, Yadu N. Babuji, Jonathan Bader, Riccardo Balin, Daniel Balouek, Sarah J. Beecroft, Khalid Belhajjame, Rajat Bhattarai, Wes Brewer, Paul Brunk, Silvina Caíno-Lores, Henri Casanova, Daniela Cassol, Jared Coleman, Tainã Coleman, Iacopo Colonnelli, Anderson Andrei Da Silva, Daniel de Oliveira, Pascal Elahi, Nour Elfaramawy, Wael R. Elwasif, Brian Etz, Thomas Fahringer, Wesley Ferreira, Rosa Filgueira, Jacob Fosso Tande, Luiz Gadelha, Andy Gallo, Daniel Garijo, Yiannis Georgiou, Philipp Gritsch, Patricia Grubel, Amal Gueroudji, Quentin Guilloteau, Carlo Hamalainen, Rolando P. Hong Enriquez, Lauren Huet, Kevin Hunter Kesling, Paula Iborra, Shiva Jahangiri, Jan Janssen, Joe Jordan, Sehrish Kanwal, Liliane N. O. Kunstmann, Fabian Lehmann, Ulf Leser, Chen Li, Peini Liu, Jakob Lüttgau, Richard Lupat, José M. Fernández, Ketan Maheshwari, Tanu Malik, Jack Marquez, Motohiko Matsuda, Doriana Medic, Somayeh Mohammadi, Alberto Mulone, John-Luke Navarro, Kin Wai Ng, Klaus Nölp, Bruno de Paula Kinoshita, Ryan Prout, Michael R. Crusoe, Sashko Ristov, Stefan A Robila, Daniel Rosendo, Billy Rowell, Jedrzej Rybicki, Hector Sanchez, Nishant Saurabh, Sumit Kumar Saurav, Tom Scogland, Dinindu Senanayake, Woong Shin, Raül Sirvent, Tyler J. Skluzacek, Barry Sly-Delgado, Stian Soiland-Reyes, Abel Souza, Renan Souza, Domenico Talia, Nathan R. Tallent:
Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows. CoRR abs/2410.14943 (2024) - 2023
- [j38]Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns, Mia A. Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, A. Sofia F. Oliveira, Clare Morris, Anthony T. Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, S. Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders S. Christensen, Daniel G. A. Smith, Zhuoran Qiao, Sai K. Sirumalla, Michael O'Connor, Frederick R. Manby, Anima Anandkumar, David J. Hardy, James C. Phillips, Abraham C. Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John D. McCalpin, Christopher J. Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John E. Stone, Daniel M. Zuckerman, Adrian J. Mulholland, Thomas F. Miller III, Shantenu Jha, Arvind Ramanathan, Lillian T. Chong, Rommie E. Amaro:
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. Int. J. High Perform. Comput. Appl. 37(1): 28-44 (2023) - [j37]Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy:
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting. J. Chem. Inf. Model. 63(18): 5834-5846 (2023) - [j36]Hyun-Myung Woo, Xiaoning Qian, Li Tan, Shantenu Jha, Francis J. Alexander, Edward R. Dougherty, Byung-Jun Yoon:
Optimal decision-making in high-throughput virtual screening pipelines. Patterns 4(11): 100875 (2023) - [c92]Mihael Hategan-Marandiuc, André Merzky, Nicholson T. Collier, Ketan Maheshwari, Jonathan Ozik, Matteo Turilli, Andreas Wilke, Justin M. Wozniak, Kyle Chard, Ian T. Foster, Rafael Ferreira da Silva, Shantenu Jha, Daniel E. Laney:
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs. e-Science 2023: 1-10 - [c91]Bogdan Nicolae, Tanzima Z. Islam, Robert B. Ross, Huub J. J. Van Dam, Kevin Assogba, Polina Shpilker, Mikhail Titov, Matteo Turilli, Tianle Wang, Ozgur O. Kilic, Shantenu Jha, Line C. Pouchard:
Building the I (Interoperability) of FAIR for Performance Reproducibility of Large-Scale Composable Workflows in RECUP. e-Science 2023: 1-7 - [c90]Tianle Wang, Sudip K. Seal, Ramakrishnan Kannan, Cristina Garcia-Cardona, Thomas Proffen, Shantenu Jha:
A Parallel Machine Learning Workflow for Neutron Scattering Data Analysis. IPDPS Workshops 2023: 795-798 - [c89]Vincent R. Pascuzzi, Ozgur O. Kilic, Matteo Turilli, Shantenu Jha:
Asynchronous Execution of Heterogeneous Tasks in ML-Driven HPC Workflows. JSSPP 2023: 27-45 - [c88]Nishant Saurabh, Shantenu Jha, André Luckow:
A Conceptual Architecture for a Quantum-HPC Middleware. QSW 2023: 116-127 - [c87]Jonathan Bader, Jim Belak, Matthew T. Bement, Matthew Berry, Robert Carson, Daniela Cassol, Stephen Chan, John Coleman, Kastan Day, Alejandro Duque, Kjiersten Fagnan, Jeff Froula, Shantenu Jha, Daniel S. Katz, Piotr Kica, Volodymyr V. Kindratenko, Edward Kirton, Ramani Kothadia, Daniel E. Laney, Fabian Lehmann, Ulf Leser, Sabina Licholai, Maciej Malawski, Mario Melara, Elais Player Jackson, Matthew Rolchigo, Setareh Sarrafan, Seung-Jin Sul, Abdullah Syed, Lauritz Thamsen, Mikhail Titov, Matteo Turilli, Silvina Caíno-Lores, Anirban Mandal:
Novel Approaches Toward Scalable Composable Workflows in Hyper-Heterogeneous Computing Environments. SC Workshops 2023: 2097-2108 - [d1]Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy:
Data for manuscript "Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting". Zenodo, 2023 - [i68]Rafael Ferreira da Silva, Rosa M. Badia, Venkat Bala, Debbie Bard, Peer-Timo Bremer, Ian Buckley, Silvina Caíno-Lores, Kyle Chard, Carole A. Goble, Shantenu Jha, Daniel S. Katz, Daniel E. Laney, Manish Parashar, Frédéric Suter, Nick Tyler, Thomas D. Uram, Ilkay Altintas, Stefan Andersson, William Arndt, Juan Aznar, Jonathan Bader, Bartosz Balis, Chris Blanton, Kelly Rosa Braghetto, Aharon Brodutch, Paul Brunk, Henri Casanova, Alba Cervera-Lierta, Justin Chigu, Tainã Coleman, Nick Collier, Iacopo Colonnelli, Frederik Coppens, Michael R. Crusoe, Will Cunningham, Bruno de Paula Kinoshita, Paolo Di Tommaso, Charles M. Doutriaux, Matthew Downton, Wael R. Elwasif, Bjoern Enders, Chris Erdmann, Thomas Fahringer, Ludmilla Figueiredo, Rosa Filgueira, Martin Foltin, Anne Fouilloux, Luiz Gadelha, Andy Gallo, Artur García-Sáez, et al.:
Workflows Community Summit 2022: A Roadmap Revolution. CoRR abs/2304.00019 (2023) - [i67]Mihael Hategan-Marandiuc, André Merzky, Nicholson T. Collier, Ketan Maheshwari, Jonathan Ozik, Matteo Turilli, Andreas Wilke, Justin M. Wozniak, Kyle Chard, Ian T. Foster, Rafael Ferreira da Silva, Shantenu Jha, Daniel E. Laney:
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs. CoRR abs/2307.07895 (2023) - [i66]Nishant Saurabh, Shantenu Jha, André Luckow:
A Conceptual Architecture for a Quantum-HPC Middleware. CoRR abs/2308.06608 (2023) - 2022
- [j35]Austin Clyde, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu N. Babuji, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian T. Foster, Darin Hauner, Vilmos Kertesz, Neeraj Kumar, Hyungro Lee, Zhuozhao Li, André Merzky, Jurgen G. Schmidt, Li Tan, Mikhail Titov, Anda Trifan, Matteo Turilli, Hubertus Van Dam, Srinivas C. Chennubhotla, Shantenu Jha, Andrey Kovalevsky, Arvind Ramanathan, Martha S. Head, Rick Stevens:
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J. Chem. Inf. Model. 62(1): 116-128 (2022) - [j34]André Merzky, Matteo Turilli, Mikhail Titov, Aymen Al-Saadi, Shantenu Jha:
Design and Performance Characterization of RADICAL-Pilot on Leadership-Class Platforms. IEEE Trans. Parallel Distributed Syst. 33(4): 818-829 (2022) - [c86]André Merzky, Matteo Turilli, Shantenu Jha:
RAPTOR: Ravenous Throughput Computing. CCGRID 2022: 595-604 - [c85]Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony:
The Ghost of Performance Reproducibility Past. e-Science 2022: 513-518 - [c84]Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd S. Munson, Ian T. Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha:
Coupling streaming AI and HPC ensembles to achieve 100-1000× faster biomolecular simulations. IPDPS 2022: 806-816 - [c83]Mikhail Titov, Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha:
RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources. JSSPP 2022: 88-107 - [c82]Aymen Alsaadi, Logan T. Ward, André Merzky, Kyle Chard, Ian T. Foster, Shantenu Jha, Matteo Turilli:
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. WORKS@SC 2022: 27-34 - [i65]Weiming Hu, Guido Cervone, Matteo Turilli, André Merzky, Shantenu Jha:
A Scalable Solution for Running Ensemble Simulations for Photovoltaic Energy. CoRR abs/2201.06962 (2022) - [i64]Rafael Ferreira da Silva, Kyle Chard, Henri Casanova, Dan Laney, Dong H. Ahn, Shantenu Jha, William E. Allcock, Gregory Bauer, Dmitry Duplyakin, Bjoern Enders, Todd M. Heer, Eric Lancon, Sergiu Sanielevici, Kevin Sayers:
Workflows Community Summit: Tightening the Integration between Computing Facilities and Scientific Workflows. CoRR abs/2201.07435 (2022) - [i63]Vincent R. Pascuzzi, Matteo Turilli, Shantenu Jha:
Asynchronous Execution of Heterogeneous Tasks in AI-coupled HPC Workflows. CoRR abs/2208.11069 (2022) - [i62]Shantenu Jha, Vincent R. Pascuzzi, Matteo Turilli:
AI-coupled HPC Workflows. CoRR abs/2208.11745 (2022) - [i61]Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony:
The Ghost of Performance Reproducibility Past. CoRR abs/2208.13102 (2022) - [i60]André Merzky, Matteo Turilli, Shantenu Jha:
RAPTOR: Ravenous Throughput Computing. CoRR abs/2209.00114 (2022) - [i59]Eliu A. Huerta, Ben Blaiszik, L. Catherine Brinson, Kristofer E. Bouchard, Daniel Diaz, Caterina Doglioni, Javier M. Duarte, Murali Emani, Ian T. Foster, Geoffrey C. Fox, Philip C. Harris, Lukas Heinrich, Shantenu Jha, Daniel S. Katz, Volodymyr V. Kindratenko, Christine R. Kirkpatrick, Kati Lassila-Perini, Ravi K. Madduri, Mark S. Neubauer, Fotis E. Psomopoulos, Avik Roy, Oliver Rübel, Zhizhen Zhao, Ruike Zhu:
FAIR for AI: An interdisciplinary, international, inclusive, and diverse community building perspective. CoRR abs/2210.08973 (2022) - 2021
- [j33]Aymen Al-Saadi, Ioannis Paraskevakos, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha, Matteo Turilli:
Comparing workflow application designs for high resolution satellite image analysis. Future Gener. Comput. Syst. 124: 315-329 (2021) - [j32]Lorenzo Casalino, Abigail C. Dommer, Zied Gaieb, Emília P. Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, Alexander Brace, Anthony T. Bogetti, Austin Clyde, Heng Ma, Hyungro Lee, Matteo Turilli, Syma Khalid, Lillian T. Chong, Carlos Simmerling, David J. Hardy, Julio D. C. Maia, James C. Phillips, Thorsten Kurth, Abraham C. Stern, Lei Huang, John D. McCalpin, Mahidhar Tatineni, Tom Gibbs, John E. Stone, Shantenu Jha, Arvind Ramanathan, Rommie E. Amaro:
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. Int. J. High Perform. Comput. Appl. 35(5) (2021) - [j31]Francis J. Alexander, James A. Ang, Jenna A. Bilbrey, Jan Balewski, Tiernan Casey, Ryan Chard, Jong Choi, Sutanay Choudhury, Bert J. Debusschere, Anthony M. DeGennaro, Nikoli Dryden, J. Austin Ellis, Ian T. Foster, Cristina Garcia-Cardona, Sayan Ghosh, Peter Harrington, Yunzhi Huang, Shantenu Jha, Travis Johnston, Ai Kagawa, Ramakrishnan Kannan, Neeraj Kumar, Zhengchun Liu, Naoya Maruyama, Satoshi Matsuoka, Erin McCarthy, Jamaludin Mohd-Yusof, Peter Nugent, Yosuke Oyama, Thomas Proffen, David Pugmire, Sivasankaran Rajamanickam, Vinay Ramakrishnaiah, Malachi Schram, Sudip K. Seal, Ganesh Sivaraman, Christine Sweeney, Li Tan, Rajeev Thakur, Brian Van Essen, Logan T. Ward, Paul M. Welch, Michael Wolf, Sotiris S. Xantheas, Kevin G. Yager, Shinjae Yoo, Byung-Jun Yoon:
Co-design Center for Exascale Machine Learning Technologies (ExaLearn). Int. J. High Perform. Comput. Appl. 35(6): 598-616 (2021) - [c81]Shantenu Jha, Allen D. Malony:
Dynamic and Adaptive Monitoring and Analysis for Many-task Ensemble Computing. CLUSTER 2021: 637-641 - [c80]André Luckow, Kartik Rattan, Shantenu Jha:
Exploring Task Placement for Edge-to-Cloud Applications using Emulation. ICFEC 2021: 79-83 - [c79]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 - [c78]André Luckow, Kartik Rattan, Shantenu Jha:
Pilot-Edge: Distributed Resource Management Along the Edge-to-Cloud Continuum. IPDPS Workshops 2021: 874-878 - [c77]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 2021: 2:1-2:13 - [c76]Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel E. Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Thomas D. Uram, Justin M. Wozniak:
ExaWorks: Workflows for Exascale. WORKS 2021: 50-57 - [c75]Rafael Ferreira da Silva, Henri Casanova, Kyle Chard, Ilkay Altintas, Rosa M. Badia, Bartosz Balis, Tainã Coleman, Frederik Coppens, Frank Di Natale, Bjoern Enders, Thomas Fahringer, Rosa Filgueira, Grigori Fursin, Daniel Garijo, Carole A. Goble, Dorran Howell, Shantenu Jha, Daniel S. Katz, Daniel E. Laney, Ulf Leser, Maciej Malawski, Kshitij Mehta, Loïc Pottier, Jonathan Ozik, J. Luc Peterson, Lavanya Ramakrishnan, Stian Soiland-Reyes, Douglas Thain, Matthew Wolf:
A Community Roadmap for Scientific Workflows Research and Development. WORKS 2021: 81-90 - [i58]André Merzky, Matteo Turilli, Mikhail Titov, Aymen Al-Saadi, Shantenu Jha:
Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms. CoRR abs/2103.00091 (2021) - [i57]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) - [i56]Rafael Ferreira da Silva, Henri Casanova, Kyle Chard, Dan Laney, Dong H. Ahn, Shantenu Jha, Carole A. Goble, Lavanya Ramakrishnan, J. Luc Peterson, Bjoern Enders, Douglas Thain, Ilkay Altintas, Yadu N. Babuji, Rosa M. Badia, Vivien Bonazzi, Tainã Coleman, Michael R. Crusoe, Ewa Deelman, Frank Di Natale, Paolo Di Tommaso, Thomas Fahringer, Rosa Filgueira, Grigori Fursin, Alex Ganose, Björn A. Grüning, Daniel S. Katz, Olga A. Kuchar, Ana Kupresanin, Bertram Ludäscher, Ketan Maheshwari, Marta Mattoso, Kshitij Mehta, Todd S. Munson, Jonathan Ozik, Tom Peterka, Loic Pottier, Tim Randles, Stian Soiland-Reyes, Benjamín Tovar, Matteo Turilli, Thomas D. Uram, Karan Vahi, Michael Wilde, Matthew Wolf, Justin M. Wozniak:
Workflows Community Summit: Bringing the Scientific Workflows Community Together. CoRR abs/2103.09181 (2021) - [i55]André Luckow, Kartik Rattan, Shantenu Jha:
Exploring Task Placement for Edge-to-Cloud Applications using Emulation. CoRR abs/2104.03368 (2021) - [i54]André Luckow, Kartik Rattan, Shantenu Jha:
Pilot-Edge: Distributed Resource Management Along the Edge-to-Cloud Continuum. CoRR abs/2104.03374 (2021) - [i53]Alexander Brace, Hyungro Lee, Heng Ma, Anda Trifan, Matteo Turilli, Igor Yakushin, Todd S. Munson, Ian T. Foster, Shantenu Jha, Arvind Ramanathan:
Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles. CoRR abs/2104.04797 (2021) - [i52]Aymen Alsaadi, André Merzky, Kyle Chard, Shantenu Jha, Matteo Turilli:
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. CoRR abs/2105.13185 (2021) - [i51]Rafael Ferreira da Silva, Henri Casanova, Kyle Chard, Tainã Coleman, Dan Laney, Dong H. Ahn, Shantenu Jha, Dorran Howell, Stian Soiland-Reyes, Ilkay Altintas, Douglas Thain, Rosa Filgueira, Yadu N. Babuji, Rosa M. Badia, Bartosz Balis, Silvina Caíno-Lores, Scott Callaghan, Frederik Coppens, Michael R. Crusoe, Kaushik De, Frank Di Natale, Tu Mai Anh Do, Bjoern Enders, Thomas Fahringer, Anne Fouilloux, Grigori Fursin, Alban Gaignard, Alex Ganose, Daniel Garijo, Sandra Gesing, Carole A. Goble, Adil Hasan, Sebastiaan Huber, Daniel S. Katz, Ulf Leser, Douglas Lowe, Bertram Ludäscher, Ketan Maheshwari, Maciej Malawski, Rajiv Mayani, Kshitij Mehta, André Merzky, Todd S. Munson, Jonathan Ozik, Loïc Pottier, Sashko Ristov, Mehdi Roozmeh, Renan Souza, Frédéric Suter, Benjamín Tovar, Matteo Turilli, Karan Vahi, Alvaro Vidal-Torreira, Wendy R. Whitcup, Michael Wilde, Alan R. Williams, Matthew Wolf, Justin M. Wozniak:
Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development. CoRR abs/2106.05177 (2021) - [i50]Austin Clyde, Thomas S. Brettin, Alexander Partin, Hyun Seung Yoo, Yadu N. Babuji, Ben Blaiszik, André Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens:
Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening. CoRR abs/2106.07036 (2021) - [i49]Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel E. Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Justin M. Wozniak:
ExaWorks: Workflows for Exascale. CoRR abs/2108.13521 (2021) - [i48]Hyun-Myung Woo, Xiaoning Qian, Li Tan, Shantenu Jha, Francis J. Alexander, Edward R. Dougherty, Byung-Jun Yoon:
Optimal Decision Making in High-Throughput Virtual Screening Pipelines. CoRR abs/2109.11683 (2021) - [i47]Rafael Ferreira da Silva, Henri Casanova, Kyle Chard, Ilkay Altintas, Rosa M. Badia, Bartosz Balis, Tainã Coleman, Frederik Coppens, Frank Di Natale, Bjoern Enders, Thomas Fahringer, Rosa Filgueira, Grigori Fursin, Daniel Garijo, Carole A. Goble, Dorran Howell, Shantenu Jha, Daniel S. Katz, Daniel E. Laney, Ulf Leser, Maciej Malawski, Kshitij Mehta, Loïc Pottier, Jonathan Ozik, J. Luc Peterson, Lavanya Ramakrishnan, Stian Soiland-Reyes, Douglas Thain, Matthew Wolf:
A Community Roadmap for Scientific Workflows Research and Development. CoRR abs/2110.02168 (2021) - 2020
- [j30]Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein:
Parallel performance of molecular dynamics trajectory analysis. Concurr. Comput. Pract. Exp. 32(19) (2020) - [j29]Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha:
Adaptive Ensemble Biomolecular Applications at Scale. SN Comput. Sci. 1(2): 104 (2020) - [c74]André Luckow, Shantenu Jha:
Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications. IPDPS Workshops 2020: 636-645 - [c73]Bradley D. Spitzbart, Heather J. Lynch, Matteo Turilli, Shantenu Jha:
ICEBERG: Imagery Cyber-infrastructure and Extensible Building blocks to Enhance Research in the Geosciences. (A Research Programmer's Perspective). PEARC 2020: 299-303 - [i46]André Luckow, Shantenu Jha:
Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications. CoRR abs/2002.09009 (2020) - [i45]Yadu N. Babuji, Ben Blaiszik, Tom Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Ian T. Foster, Zhi Hong, Shantenu Jha, Zhuozhao Li, Xuefeng Liu, Arvind Ramanathan, Yi Ren, Nicholaus Saint, Marcus Schwarting, Rick Stevens, Hubertus Van Dam, Rick Wagner:
Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release. CoRR abs/2006.02431 (2020) - [i44]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) - [i43]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR abs/2010.10517 (2020) - [i42]Aymen Al-Saadi, Ioannis Paraskevakos, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha, Matteo Turilli:
Comparing Workflow Application Designs for High Resolution Satellite Image Analysis. CoRR abs/2010.14756 (2020)
2010 – 2019
- 2019
- [j28]Eliu A. Huerta, Roland Haas, Shantenu Jha, Mark S. Neubauer, Daniel S. Katz:
Supporting High-Performance and High-Throughput Computing for Experimental Science. Comput. Softw. Big Sci. 3(1) (2019) - [j27]Shantenu Jha, Scott A. Lathrop, Jarek Nabrzyski, Lavanya Ramakrishnan:
Incorporating Scientific Workflows in Computing Research Processes. Comput. Sci. Eng. 21(4): 4-6 (2019) - [j26]Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha:
Middleware Building Blocks for Workflow Systems. Comput. Sci. Eng. 21(4): 62-75 (2019) - [j25]Line Pouchard, Sterling Baldwin, Todd Elsethagen, Shantenu Jha, Bibi Raju, Eric G. Stephan, Li Tang, Kerstin Kleese van Dam:
Computational reproducibility of scientific workflows at extreme scales. Int. J. High Perform. Comput. Appl. 33(5) (2019) - [c72]André Luckow, Shantenu Jha:
Performance Characterization and Modeling of Serverless and HPC Streaming Applications. IEEE BigData 2019: 5688-5696 - [c71]Ioannis Paraskevakos, Matteo Turilli, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha:
Workflow Design Analysis for High Resolution Satellite Image Analysis. eScience 2019: 47-56 - [c70]Shantenu Jha, Geoffrey C. Fox:
Understanding ML Driven HPC: Applications and Infrastructure. eScience 2019: 421-427 - [c69]Geoffrey C. Fox, Shantenu Jha:
Learning Everywhere: A Taxonomy for the Integration of Machine Learning and Simulations. eScience 2019: 439-448 - [c68]Geoffrey C. Fox, James A. Glazier, J. C. S. Kadupitiya, Vikram Jadhao, Minje Kim, Judy Qiu, James P. Sluka, Endre T. Somogyi, Madhav V. Marathe, Abhijin Adiga, Jiangzhuo Chen, Oliver Beckstein, Shantenu Jha:
Learning Everywhere: Pervasive Machine Learning for Effective High-Performance Computation. IPDPS Workshops 2019: 422-429 - [c67]Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan:
Deep Generative Model Driven Protein Folding Simulations. PARCO 2019: 45-55 - [c66]Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. DLS@SC 2019: 12-19 - [c65]Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha:
Characterizing the Performance of Executing Many-tasks on Summit. IPDRM@SC 2019: 18-25 - [i41]Geoffrey C. Fox, James A. Glazier, J. C. S. Kadupitiya, Vikram Jadhao, Minje Kim, Judy Qiu, James P. Sluka, Endre T. Somogyi, Madhav V. Marathe, Abhijin Adiga, Jiangzhuo Chen, Oliver Beckstein, Shantenu Jha:
Learning Everywhere: Pervasive Machine Learning for Effective High-Performance Computation. CoRR abs/1902.10810 (2019) - [i40]Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha:
Middleware Building Blocks for Workflow Systems. CoRR abs/1903.10057 (2019) - [i39]Vivek Balasubramanian, Shantenu Jha, André Merzky, Matteo Turilli:
RADICAL-Cybertools: Middleware Building Blocks for Scalable Science. CoRR abs/1904.03085 (2019) - [i38]Ioannis Paraskevakos, Matteo Turilli, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha:
Workflow Design Analysis for High Resolution Satellite Image Analysis. CoRR abs/1905.09766 (2019) - [i37]Levi N. Naden, Sam Ellis, Shantenu Jha:
MolSSI and BioExcel Workflow Workshop 2018 Report. CoRR abs/1905.11863 (2019) - [i36]Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein:
Parallel Performance of Molecular Dynamics Trajectory Analysis. CoRR abs/1907.00097 (2019) - [i35]Geoffrey C. Fox, Shantenu Jha:
Understanding ML driven HPC: Applications and Infrastructure. CoRR abs/1909.02363 (2019) - [i34]Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha:
Characterizing the Performance of Executing Many-tasks on Summit. CoRR abs/1909.03057 (2019) - [i33]André Luckow, Shantenu Jha:
Performance Characterization and Modeling of Serverless and HPC Streaming Applications. CoRR abs/1909.06055 (2019) - [i32]Hyungro Lee, Heng Ma, Matteo Turilli, Debsindhu Bhowmik, Shantenu Jha, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.