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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 - [i76]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) - [i75]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) - [i74]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) - [i73]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) - [i72]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) - [i71]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) - [i70]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) - [i69]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) - 2023
- [j38]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 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. 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]Eliu 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]Jay Jay Billings, Shantenu Jha:
Toward Common Components for Open Workflow Systems. CoRR abs/1710.06774 (2017) - [i19]Vivek Balasubramanian, Matteo Turilli, Weiming Hu, Matthieu Lefebvre, Wenjie Lei, Guido Cervone, Jeroen Tromp, Shantenu Jha:
Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications. CoRR abs/1710.08491 (2017) - [i18]Jumana Dakka, Pouya Bashivan, Mina Gheiratmand, Irina Rish, Shantenu Jha, Russell Greiner:
Learning Neural Markers of Schizophrenia Disorder Using Recurrent Neural Networks. CoRR abs/1712.00512 (2017) - [i17]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. CoRR abs/1712.09168 (2017) - 2016
- [j18]Daniel S. Katz, André Merzky, Zhao Zhang, Shantenu Jha:
Application skeletons: Construction and use in eScience. Future Gener. Comput. Syst. 59: 114-124 (2016) - [j17]Zhao Zhang, Daniel S. Katz, André Merzky, Matteo Turilli, Shantenu Jha, Yadu Nand Babuji:
Application Skeleton: Generating Synthetic Applications for Infrastructure Research. J. Open Source Softw. 1(1): 17 (2016) - [c50]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha:
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. eScience 2016: 361-370 - [c49]Vivekanandan Balasubramanian, Antons Treikalis, Ole Weidner, Shantenu Jha:
Ensemble Toolkit: Scalable and Flexible Execution of Ensembles of Tasks. ICPP 2016: 458-463 - [c48]Antons Treikalis, André Merzky, Haoyuan Chen, Tai-Sung Lee, Darrin M. York, Shantenu Jha:
RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations. ICPP 2016: 628-637 - [c47]Shayan Shams, Nayong Kim, Xiandong Meng, Ming Tai Ha, Shantenu Jha, Zhong Wang, Joohyun Kim:
A Scalable Pipeline for Transcriptome Profiling Tasks with On-Demand Computing Clouds. IPDPS Workshops 2016: 443-452 - [c46]Matteo Turilli, Feng Liu, Zhao Zhang, André Merzky, Michael Wilde, Jon B. Weissman, Daniel S. Katz, Shantenu Jha:
Integrating Abstractions to Enhance the Execution of Distributed Applications. IPDPS 2016: 953-962 - [c45]André Merzky, Shantenu Jha:
Synapse: Synthetic Application Profiler and Emulator. IPDPS Workshops 2016: 1259-1268 - [c44]André Luckow, Ioannis Paraskevakos, George Chantzialexiou, Shantenu Jha:
Hadoop on HPC: Integrating Hadoop and Pilot-Based Dynamic Resource Management. IPDPS Workshops 2016: 1607-1616 - [i16]Antons Treikalis, André Merzky, Haoyuan Chen, Tai-Sung Lee, Darrin M. York, Shantenu Jha:
RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations. CoRR abs/1601.05439 (2016) - [i15]André Luckow, Ioannis Paraskevakos, George Chantzialexiou, Shantenu Jha:
Hadoop on HPC: Integrating Hadoop and Pilot-based Dynamic Resource Management. CoRR abs/1602.00345 (2016) - [i14]Vivekanandan Balasubramanian, Antons Treikalis, Ole Weidner, Shantenu Jha:
EnsembleMD Toolkit: Scalable and Flexible Execution of Ensembles of Molecular Simulations. CoRR abs/1602.00678 (2016) - [i13]Matteo Turilli, Yadu Nand Babuji, André Merzky, Ming Tai Ha, Michael Wilde, Daniel S. Katz, Shantenu Jha:
Analysis of Distributed Execution of Workloads. CoRR abs/1605.09513 (2016) - [i12]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha:
ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques. CoRR abs/1606.00093 (2016) - [i11]Shantenu Jha, Matteo Turilli:
A Building Blocks Approach towards Domain Specific Workflow Systems? CoRR abs/1609.03484 (2016) - [i10]Shantenu Jha, Daniel S. Katz, André Luckow, Omer F. Rana, Yogesh Simmhan, Neil P. Chue Hong:
Introducing Distributed Dynamic Data-intensive (D3) Science: Understanding Applications and Infrastructure. CoRR abs/1609.03647 (2016) - 2015
- [j16]André Luckow, Mark Santcroos, Ashley Zebrowski, Shantenu Jha:
Pilot-Data: An abstraction for distributed data. J. Parallel Distributed Comput. 79-80: 16-30 (2015) - [c43]Geoffrey C. Fox, Judy Qiu, Supun Kamburugamuve, Shantenu Jha, André Luckow:
HPC-ABDS High Performance Computing Enhanced Apache Big Data Stack. CCGRID 2015: 1057-1066 - [c42]Geoffrey C. Fox, Judy Qiu, Shantenu Jha, Saliya Ekanayake, Supun Kamburugamuve:
Big Data, Simulations and HPC Convergence. WBDB 2015: 3-17 - [e4]Shantenu Jha, Daniel S. Katz, Jon B. Weissman:
Proceedings of the 1st Workshop on The Science of Cyberinfrastructure - Research, Experience, Applications and Models, SCREAM@HPDC 2015, Portland, Oregon, USA, June 16, 2015. ACM 2015, ISBN 978-1-4503-3566-9 [contents] - [i9]André Luckow, Pradeep Kumar Mantha, Shantenu Jha:
Pilot-Abstraction: A Valid Abstraction for Data-Intensive Applications on HPC, Hadoop and Cloud Infrastructures? CoRR abs/1501.05041 (2015) - [i8]Matteo Turilli, Feng Liu, Zhao Zhang, André Merzky, Michael Wilde, Jon B. Weissman, Daniel S. Katz, Shantenu Jha:
Integrating Abstractions to Enhance the Execution of Distributed Applications. CoRR abs/1504.04720 (2015) - [i7]André Merzky, Shantenu Jha:
Synapse: Bridging the Gap Towards Predictable Workload Placement. CoRR abs/1506.00272 (2015) - [i6]Matteo Turilli, Mark Santcroos, Shantenu Jha:
A Comprehensive Perspective on the Pilot-Job Abstraction. CoRR abs/1508.04180 (2015) - [i5]André Merzky, Mark Santcroos, Matteo Turilli, Shantenu Jha:
RADICAL-Pilot: Scalable Execution of Heterogeneous and Dynamic Workloads on Supercomputers. CoRR abs/1512.08194 (2015) - 2014
- [j15]Joohyun Kim, Sharath Maddineni, Shantenu Jha:
Advancing next-generation sequencing data analytics with scalable distributed infrastructure. Concurr. Comput. Pract. Exp. 26(4): 894-906 (2014) - [j14]Hugh S. C. Martin, Shantenu Jha, Peter V. Coveney:
Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. J. Comput. Chem. 35(9): 692-702 (2014) - [c41]Shantenu Jha, Judy Qiu, André Luckow, Pradeep Kumar Mantha, Geoffrey C. Fox:
A Tale of Two Data-Intensive Paradigms: Applications, Abstractions, and Architectures. BigData Congress 2014: 645-652 - [c40]Geoffrey C. Fox, Shantenu Jha, Judy Qiu, Saliya Ekanayake, André Luckow:
Towards a Comprehensive Set of Big Data Benchmarks. High Performance Computing Workshop 2014: 47-66 - [c39]Sandra Gesing, Jarek Nabrzyski, Shantenu Jha:
Gateways to high-perfomance and distributed computing resources for global health challenges. IHTC 2014: 1-5 - [i4]Shantenu Jha, Judy Qiu, André Luckow, Pradeep Kumar Mantha, Geoffrey Charles Fox:
A Tale of Two Data-Intensive Paradigms: Applications, Abstractions, and Architectures. CoRR abs/1403.1528 (2014) - 2013
- [j13]Shantenu Jha, Murray Cole, Daniel S. Katz, Manish Parashar, Omer F. Rana, Jon B. Weissman:
Distributed computing practice for large-scale science and engineering applications. Concurr. Comput. Pract. Exp. 25(11): 1559-1585 (2013) - [j12]Wei Huang, Joohyun Kim, Shantenu Jha, Fareed Aboul-Ela:
The Impact of a Ligand Binding on Strand Migration in the SAM-I Riboswitch. PLoS Comput. Biol. 9(5) (2013) - [c38]Mark Santcroos, Barbera D. C. van Schaik, Shayan Shahand, Sílvia Delgado Olabarriaga, André Luckow, Shantenu Jha:
Exploring Dynamic Enactment of Scientific Workflows Using Pilot-Abstractions. CCGRID 2013: 311-318 - [c37]Jack A. Smith, Yaakoub El Khamra, Melissa Romanus, Thomas C. Bishop, Pradeep Kumar Mantha, Shantenu Jha:
Scalable online comparative genomics of mononucleosomes: a BigJob. XSEDE 2013: 23:1-23:8 - [c36]Brian K. Radak, Tai-Sung Lee, Peng He, Melissa Romanus, Ole Weidner, Wei Dai, Emilio Gallicchio, Nan-Jie Deng, Darrin M. York, Ronald M. Levy, Shantenu Jha:
A framework for flexible and scalable replica-exchange on production distributed CI. XSEDE 2013: 26:1-26:8 - [i3]André Luckow, Mark Santcroos, Ole Weidner, Ashley Zebrowski, Shantenu Jha:
Pilot-Data: An Abstraction for Distributed Data. CoRR abs/1301.6228 (2013) - 2012
- [j11]Sharath Maddineni, Joohyun Kim, Yaakoub El Khamra, Shantenu Jha:
Distributed Application Runtime Environment (DARE): A Standards-based Middleware Framework for Science-Gateways. J. Grid Comput. 10(4): 647-664 (2012) - [c35]André Luckow, Mark Santcroos, André Merzky, Ole Weidner, Pradeep Kumar Mantha, Shantenu Jha:
P∗: A model of pilot-abstractions. eScience 2012: 1-10 - [c34]Mark Santcroos, Sílvia Delgado Olabarriaga, Daniel S. Katz, Shantenu Jha:
Pilot abstractions for compute, data, and network. eScience 2012: 1-2 - [c33]André Luckow, Mark Santcroos, Ole Weidner, André Merzky, Sharath Maddineni, Shantenu Jha:
Towards a common model for pilot-jobs. HPDC 2012: 123-124 - [c32]Rajib Mukherjee, Abhinav Thota, Hideki Fujioka, Thomas C. Bishop, Shantenu Jha:
Running many molecular dynamics simulations on many supercomputers. XSEDE 2012: 2:1-2:9 - [c31]Melissa Romanus, Pradeep Kumar Mantha, Matt McKenzie, Thomas C. Bishop, Emilio Gallicchio, André Merzky, Yaakoub El Khamra, Shantenu Jha:
The anatomy of successful ECSS projects: lessons of supporting high-throughput high-performance ensembles on XSEDE. XSEDE 2012: 46:1-46:9 - [c30]Jerome E. Mitchell, Judy Qiu, Massimo Canonio, Shantenu Jha, Linda B. Hayden, Barbara Ann O'Leary, Renato Figueiredo, Geoffrey C. Fox:
FutureGrid education: using case studies to develop a curriculum for communicating parallel and distributed computing concepts. XSEDE 2012: 61:1-61:5 - [i2]André Luckow, Mark Santcroos, Ole Weidner, André Merzky, Pradeep Kumar Mantha, Shantenu Jha:
P*: A Model of Pilot-Abstractions. CoRR abs/1207.6644 (2012) - [i1]Daniel S. Katz, Shantenu Jha, Manish Parashar, Omer F. Rana, Jon B. Weissman:
Survey and Analysis of Production Distributed Computing Infrastructures. CoRR abs/1208.2649 (2012) - 2011
- [j10]Joohyun Kim, Wei Huang, Sharath Maddineni, Fareed Aboul-Ela, Shantenu Jha:
Energy landscape analysis for regulatory RNA finding using scalable distributed cyberinfrastructure. Concurr. Comput. Pract. Exp. 23(17): 2292-2304 (2011) - [j9]Saurabh Sehgal, Miklós Erdélyi, André Merzky, Shantenu Jha:
Understanding application-level interoperability: Scaling-out MapReduce over high-performance grids and clouds. Future Gener. Comput. Syst. 27(5): 590-599 (2011) - [j8]Hyunjoo Kim, Yaakoub El Khamra, Ivan Rodero, Shantenu Jha, Manish Parashar:
Autonomic management of application workflows on hybrid computing infrastructure. Sci. Program. 19(2-3): 75-89 (2011) - [c29]Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin J. Pringle, Jules Wolfrat, Peter V. Coveney, Shantenu Jha:
Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences. TG 2011: 4:1-4:8 - [c28]Joohyun Kim, Sharath Maddineni, Shantenu Jha:
Building gateways for life-science applications using the dynamic application runtime environment (DARE) framework. TG 2011: 38:1-38:8 - [c27]Frank Löffler, Gabrielle Allen, Werner Benger, Andrei Hutanu, Shantenu Jha, Erik Schnetter:
Using the TeraGrid to teach scientific computing. TG 2011: 55:1-55:7 - [c26]Gabrielle Allen, Werner Benger, Andrei Hutanu, Shantenu Jha, Frank Löffler, Erik Schnetter:
A practical and comprehensive graduate course preparing students for research involving scientific computing. ICCS 2011: 1927-1936 - [e3]Shantenu Jha, Nils gentschen Felde, Rajkumar Buyya, Gilles Fedak:
12th IEEE/ACM International Conference on Grid Computing, GRID 2011, Lyon, France, September 21-23, 2011. IEEE Computer Society 2011, ISBN 978-1-4577-1904-2 [contents] - 2010
- [j7]Pavan Balaji, Wu-chun Feng, Heshan Lin, Jeremy S. Archuleta, Satoshi Matsuoka, Andrew S. Warren, João Carlos Setubal, Ewing L. Lusk, Rajeev Thakur, Ian T. Foster, Daniel S. Katz, Shantenu Jha, K. Shinpaugh, Susan Coghlan, Daniel A. Reed:
Global-scale distributed I/O with ParaMEDIC. Concurr. Comput. Pract. Exp. 22(16): 2266-2281 (2010) - [j6]Peter V. Coveney, Giovanni Giupponi, Shantenu Jha, Steven Manos, Jon MacLaren, Stephen Pickles, R. S. Saksena, Thomas Soddemann, James L. Suter, Mary-Ann Thyveetil, Stefan J. Zasada:
Large scale computational science on federated international grids: The role of switched optical networks. Future Gener. Comput. Syst. 26(1): 99-110 (2010) - [c25]André Luckow, Lukasz Lacinski, Shantenu Jha:
SAGA BigJob: An Extensible and Interoperable Pilot-Job Abstraction for Distributed Applications and Systems. CCGRID 2010: 135-144 - [c24]Soon-Heum Ko, Nayong Kim, Joohyun Kim, Abhinav Thota, Shantenu Jha:
Efficient Runtime Environment for Coupled Multi-physics Simulations: Dynamic Resource Allocation and Load-Balancing. CCGRID 2010: 349-358 - [c23]Yaakoub El Khamra, Hyunjoo Kim, Shantenu Jha, Manish Parashar:
Exploring the Performance Fluctuations of HPC Workloads on Clouds. CloudCom 2010: 383-387 - [c22]André Luckow, Shantenu Jha:
Abstractions for Loosely-Coupled and Ensemble-Based Simulations on Azure. CloudCom 2010: 550-556 - [c21]Hyunjoo Kim, Yaakoub El Khamra, Shantenu Jha, Manish Parashar:
Exploring application and infrastructure adaptation on hybrid grid-cloud infrastructure. HPDC 2010: 402-412 - [c20]Joohyun Kim, Wei Huang, Sharath Maddineni, Fareed Aboul-Ela, Shantenu Jha:
Exploring the RNA folding energy landscape using scalable distributed cyberinfrastructure. HPDC 2010: 477-488 - [c19]Stephen David Beck, Shantenu Jha, Brygg Ullmer, Chris Branton, Sharath Maddineni:
GRENDL: grid enabled distribution and control for Laptop Orchestras. SIGGRAPH Posters 2010: 84:1 - [c18]Yaakoub El Khamra, Shantenu Jha, Christopher D. White:
Modelling data-driven CO2 sequestration using distributed HPC cyberinfrastructure. TG 2010: 6:1-6:8
2000 – 2009
- 2009
- [j5]Shantenu Jha, André Merzky, Geoffrey C. Fox:
Using clouds to provide grids with higher levels of abstraction and explicit support for usage modes. Concurr. Comput. Pract. Exp. 21(8): 1087-1108 (2009) - [c17]Chris Miceli, Michael Miceli, Shantenu Jha, Hartmut Kaiser, André Merzky:
Programming Abstractions for Data Intensive Computing on Clouds and Grids. CCGRID 2009: 478-483 - [c16]Zhifeng Yun, Zhou Lei, Gabrielle Allen, Daniel S. Katz, Tevfik Kosar, Shantenu Jha, Jagannathan Ramanujam:
An innovative application execution toolkit for multicluster grids. CLUSTER 2009: 1-4 - [c15]André Merzky, Katerina Stamou, Shantenu Jha, Daniel S. Katz:
A Fresh Perspective on Developing and Executing DAG-Based Distributed Applications: A Case-Study of SAGA-Based Montage. eScience 2009: 231-238 - [c14]Hyunjoo Kim, Yaakoub El Khamra, Shantenu Jha, Manish Parashar:
An Autonomic Approach to Integrated HPC Grid and Cloud Usage. eScience 2009: 366-373 - [c13]Domenico Talia, Jason Maassen, Fabrice Huet, Shantenu Jha:
Introduction. Euro-Par 2009: 629 - [c12]André Merzky, Katerina Stamou, Shantenu Jha:
Application Level Interoperability between Clouds and Grids. GPC Workshops 2009: 143-150 - [c11]Shantenu Jha, Daniel S. Katz, Manish Parashar, Omer F. Rana, Jon B. Weissman:
Critical perspectives on large-scale distributed applications and production Grids. GRID 2009: 1-8 - [c10]Shantenu Jha, Yaakoub El Khamra, Joohyun Kim:
Developing Scientific Applications with Loosely-Coupled Sub-tasks. ICCS (1) 2009: 641-650 - [c9]Shantenu Jha, Manish Parashar, Omer F. Rana:
Self-adaptive Architectures for Autonomic Computational Science. SOAR 2009: 177-197 - [e2]Thomas Rauber, Gudula Rünger, Emmanuel Jeannot, Shantenu Jha:
Proceedings of the 7th international workshop on Challenges of large applications in distributed environments, CLADE@HPDC 2009, Garching near Munich, Germany, June 10, 2009. ACM 2009, ISBN 978-1-60558-588-8 [contents] - [e1]Eduardo César, Michael Alexander, Achim Streit, Jesper Larsson Träff, Christophe Cérin, Andreas Knüpfer, Dieter Kranzlmüller, Shantenu Jha:
Euro-Par 2008 Workshops - Parallel Processing, VHPC 2008, UNICORE 2008, HPPC 2008, SGS 2008, PROPER 2008, ROIA 2008, and DPA 2008, Las Palmas de Gran Canaria, Spain, August 25-26, 2008, Revised Selected Papers. Lecture Notes in Computer Science 5415, Springer 2009, ISBN 978-3-642-00954-9 [contents] - 2008
- [c8]André Luckow, Shantenu Jha, Joohyun Kim, André Merzky, Bettina Schnor:
Distributed Replica-Exchange Simulations on Production Environments Using SAGA and Migol. eScience 2008: 253-260 - [c7]Shantenu Jha, Daniel S. Katz, Manish Parashar, Omer F. Rana, Murray Cole:
Abstractions for Distributed Systems (DPA 2008). Euro-Par Workshops 2008: 401 - [c6]Promita Chakraborty, Shantenu Jha:
Design and performance analysis of a distributed HPC molecular dynamics code on distributed resources. Mardi Gras Conference 2008: 21 - 2007
- [j4]Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis:
NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. Clust. Comput. 10(3): 351-364 (2007) - [c5]Shantenu Jha, Hartmut Kaiser, Yaakoub El Khamra, Ole Weidner:
Design and Implementation of Network Performance Aware Applications Using SAGA and Cactus. eScience 2007: 143-150 - [c4]Shantenu Jha, Hartmut Kaiser, André Merzky, Ole Weidner:
Grid Interoperability at the Application Level Using SAGA. eScience 2007: 584-591 - 2006
- [c3]Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis:
NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. CLADE 2006: 34-42 - [c2]Matt J. Harvey, Shantenu Jha, Mary-Ann Thyveetil, Peter V. Coveney:
Using Lambda Networks to Enhance Performance of Interactive Large Simulations. e-Science 2006: 40 - 2005
- [j3]Jonathan Chin, Matthew J. Harvey, Shantenu Jha, Peter V. Coveney:
Scientific grid computing: the first generation. Comput. Sci. Eng. 7(5): 24-32 (2005) - [j2]Shantenu Jha, Peter V. Coveney, Charles A. Laughton:
Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer. J. Comput. Chem. 26(15): 1617-1627 (2005) - [c1]Shantenu Jha, Peter V. Coveney, Matt J. Harvey:
SPICE: Simulated Pore Interactive Computing Environment. SC 2005: 70 - 2004
- [j1]Jonathan Chin, Peter V. Coveney, Shantenu Jha:
The Current State of the Grid. Comput. Sci. Eng. 6(5): 75-77 (2004)
Coauthor Index
aka: Yadu Nand Babuji
aka: Vivek Balasubramanian
aka: Geoffrey Charles Fox
aka: Dan Laney
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