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ORCIDShantenu Jha
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- affiliation: Rutgers University, Piscataway, NJ, USA
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2020 – today
- 2023
[j35]Abigail C. Dommer, Lorenzo Casalino
, Fiona L. Kearns, Mia 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 Miller, 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)- [c89]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 - [c88]Vincent R. Pascuzzi, Ozgur O. Kilic, Matteo Turilli, Shantenu Jha:
Asynchronous Execution of Heterogeneous Tasks in ML-Driven HPC Workflows. JSSPP 2023: 27-45 - [c87]Nishant Saurabh, Shantenu Jha, André Luckow:
A Conceptual Architecture for a Quantum-HPC Middleware. QSW 2023: 116-127 - [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
- [j34]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) - [j33]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]E. 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
- [j32]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) - [j31]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) - [j30]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 Ramakrishniah, 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
- [j29]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) - [j28]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
- [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. CoRR abs/1909.07817 (2019) - [i31]Geoffrey C. Fox, Shantenu Jha:
Learning Everywhere: A Taxonomy for the Integration of Machine Learning and Simulations. CoRR abs/1909.13340 (2019) - 2018
- [j24]Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha:
High-throughput binding affinity calculations at extreme scales. BMC Bioinform. 19-S(18): 33-45 (2018) - [j23]Chaitanya Sampat, Franklin E. Bettencourt, Yukteshwar Baranwal, Ioannis Paraskevakos, Anik Chaturbedi, Subhodh Karkala, Shantenu Jha, Rohit Ramachandran, Marianthi Ierapetritou:
A parallel unidirectional coupled DEM-PBM model for the efficient simulation of computationally intensive particulate process systems. Comput. Chem. Eng. 119: 128-142 (2018) - [j22]Matteo Turilli, Mark Santcroos, Shantenu Jha:
A Comprehensive Perspective on Pilot-Job Systems. ACM Comput. Surv. 51(2): 43:1-43:32 (2018) - [j21]André Merzky, Ming Tai Ha, Matteo Turilli, Shantenu Jha:
Synapse: Synthetic application profiler and emulator. J. Comput. Sci. 27: 329-344 (2018) - [c64]Matteo Turilli, André Merzky, Vivek Balasubramanian, Shantenu Jha:
Building Blocks for Workflow System Middleware. CCGrid 2018: 348-349 - [c63]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, Shunzhou Wan, David W. Wright, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight. CCGrid 2018: 572-577 - [c62]Georgios Chantzialexiou, André Luckow, Shantenu Jha:
Pilot-Streaming: A Stream Processing Framework for High-Performance Computing. eScience 2018: 177-188 - [c61]Jumana Dakka, Kristof Farkas-Pall, Matteo Turilli, David W. Wright, Peter V. Coveney, Shantenu Jha:
Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations. eScience 2018: 189-200 - [c60]Alexey A. Poyda, Mikhail Titov, Alexei Klimentov, Jack C. Wells, Sarp H. Oral, Kaushik De, Danila Oleynik, Shantenu Jha:
Modeling Impact of Execution Strategies on Resource Utilization. eScience 2018: 340 - [c59]V. Ananthraj, Kaushik De, Shantenu Jha, Alexei Klimentov, Danila Oleynik, Sarp H. Oral, André Merzky, Ruslan Mashinistov, Sergey Panitkin, P. Svirin, Matteo Turilli, Jack C. Wells, Sean R. Wilkinson:
Towards Exascale Computing for High Energy Physics: The ATLAS Experience at ORNL. eScience 2018: 341-342 - [c58]Ioannis Paraskevakos, André Luckow, Mahzad Khoshlessan, George Chantzialexiou, Thomas E. Cheatham, Oliver Beckstein, Geoffrey C. Fox, Shantenu Jha:
Task-parallel Analysis of Molecular Dynamics Trajectories. ICPP 2018: 49:1-49:10 - [c57]Vivek Balasubramanian, Matteo Turilli, Weiming Hu, Matthieu Lefebvre, Wenjie Lei, Ryan T. Modrak, Guido Cervone, Jeroen Tromp, Shantenu Jha:
Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications. IPDPS 2018: 536-545 - [c56]André Merzky, Matteo Turilli, Manuel Maldonado, Mark Santcroos, Shantenu Jha:
Using Pilot Systems to Execute Many Task Workloads on Supercomputers. JSSPP 2018: 61-82 - [i30]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, David W. Wright, Shunzhou Wan, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Rapid, concurrent and adaptive extreme scale binding free energy calculation. CoRR abs/1801.01174 (2018) - [i29]André Merzky, Matteo Turilli, Manuel Maldonado, Shantenu Jha:
Design and Performance Characterization of RADICAL-Pilot on Titan. CoRR abs/1801.01843 (2018) - [i28]Ming Tai Ha, Matteo Turilli, André Merzky, Shantenu Jha:
Towards General Distributed Resource Selection. CoRR abs/1801.02651 (2018) - [i27]Ioannis Paraskevakos, André Luckow, George Chantzialexiou, Mahzad Khoshlessan, Oliver Beckstein, Geoffrey C. Fox, Shantenu Jha:
Task-parallel Analysis of Molecular Dynamics Trajectories. CoRR abs/1801.07630 (2018) - [i26]André Luckow, George Chantzialexiou, Shantenu Jha:
Pilot-Streaming: A Stream Processing Framework for High-Performance Computing. CoRR abs/1801.08648 (2018) - [i25]Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha:
Implementing Adaptive Ensemble Biomolecular Applications at Scale. CoRR abs/1804.04736 (2018) - [i24]Line Pouchard, Sterling Baldwin, Todd Elsethagen, Carlos Gamboa, Shantenu Jha, Bibi Raju, Eric G. Stephan, Li Tang, Kerstin Kleese van Dam:
Use Cases of Computational Reproducibility for Scientific Workflows at Exascale. CoRR abs/1805.00967 (2018) - [i23]André Merzky, Ming Tai Ha, Matteo Turilli, Shantenu Jha:
Synapse: Synthetic Application Profiler and Emulator. CoRR abs/1808.00684 (2018) - [i22]E. A. Huerta, Roland Haas, Shantenu Jha, Mark S. Neubauer, Daniel S. Katz:
Supporting High-Performance and High-Throughput Computing for Experimental Science. CoRR abs/1810.03056 (2018) - 2017
- [j20]Jason Maassen, Ben van Werkhoven, Maarten A. J. van Meersbergen, Henri E. Bal, Michael Kliphuis, Sandra E. Brunnabend, Henk A. Dijkstra, Gerben van Malenstein, Migiel de Vos, Sylvia Kuijpers, Sander Boele, Jules Wolfrat, Nick Hill, David Wallom, Christian Grimm, Dieter Kranzlmüller, Dinesh Ganpathi, Shantenu Jha, Yaakoub El Khamra, Frank O. Bryan, Benjamin Kirtman, Frank J. Seinstra:
On the complexities of utilizing large-scale lightpath-connected distributed cyberinfrastructure. Concurr. Comput. Pract. Exp. 29(2) (2017) - [j19]Shantenu Jha, Daniel S. Katz, André Luckow, Neil P. Chue Hong, Omer F. Rana, Yogesh Simmhan:
Introducing distributed dynamic data-intensive (D3) science: Understanding applications and infrastructure. Concurr. Comput. Pract. Exp. 29(8) (2017) - [c55]Geoffrey C. Fox, Shantenu Jha:
Conceptualizing a Computing Platform for Science Beyond 2020: To Cloudify HPC, or HPCify Clouds? CLOUD 2017: 808-810 - [c54]Matteo Turilli, Yadu Nand Babuji, André Merzky, Ming Tai Ha, Michael Wilde, Daniel S. Katz, Shantenu Jha:
Evaluating Distributed Execution of Workloads. eScience 2017: 276-285 - [c53]Danila Oleynik, Sergey Panitkin, Matteo Turilli, Alessio Angius, Sarp H. Oral, Kaushik De, Alexei Klimentov, Jack C. Wells, Shantenu Jha:
High-Throughput Computing on High-Performance Platforms: A Case Study. eScience 2017: 295-304 - [c52]Jane Wyngaard, Heather J. Lynch, Jaroslaw Nabrzyski, Allen Pope, Shantenu Jha:
Hacking at the Divide Between Polar Science and HPC: Using Hackathons as Training Tools. IPDPS Workshops 2017: 352-359 - [c51]Mahzad Khoshlessan, Ioannis Paraskevakos, Shantenu Jha, Oliver Beckstein:
Parallel Analysis in MDAnalysis using the Dask Parallel Computing Library. SciPy 2017: 64-72 - [i21]Alessio Angius, Danila Oleynik, Sergey Panitkin, Matteo Turilli, Kaushik De, Alexei Klimentov, Sarp H. Oral, Jack C. Wells, Shantenu Jha:
Converging High-Throughput and High-Performance Computing: A Case Study. CoRR abs/1704.00978 (2017) - [i20]