Shantenu Jha

ORCID

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 142

Top Venues

Publications

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 (2024)
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 (2024)
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 (2024)
Arup Kumar Sarker, Aymen Alsaadi, Niranda Perera, Mills Staylor, Gregor von Laszewski, Matteo Turilli, Ozgur Ozan Kilic, Mikhail Titov, André Merzky, Shantenu Jha, Geoffrey Fox
Design and Implementation of an Analysis Pipeline for Heterogeneous Data. CoRR (2024)
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)
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) (2024)
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 (2024)
Aymen Alsaadi, Shantenu Jha, Matteo Turilli
Hydra: Brokering Cloud and HPC Resources to Support the Execution of Heterogeneous Workloads at Scale. CoRR (2024)
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)
Wes Brewer, Ana Gainaru, Frédéric Suter, Feiyi Wang, Murali Emani, Shantenu Jha
AI-coupled HPC Workflow Applications, Middleware and Performance. CoRR (2024)
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 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 (2024)
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 (2024)
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) (2023)
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)
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 (2023)
Nishant Saurabh, Shantenu Jha, André Luckow
A Conceptual Architecture for a Quantum-HPC Middleware. QSW (2023)
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)
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) (2023)
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 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 (2023)
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)
Vincent R. Pascuzzi, Ozgur O. Kilic, Matteo Turilli, Shantenu Jha
Asynchronous Execution of Heterogeneous Tasks in ML-Driven HPC Workflows. JSSPP (2023)
Nishant Saurabh, Shantenu Jha, André Luckow
A Conceptual Architecture for a Quantum-HPC Middleware. CoRR (2023)
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) (2023)
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)
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) (2022)
Vincent R. Pascuzzi, Matteo Turilli, Shantenu Jha
Asynchronous Execution of Heterogeneous Tasks in AI-coupled HPC Workflows. CoRR (2022)
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 (2022)
Shantenu Jha, Vincent R. Pascuzzi, Matteo Turilli
AI-coupled HPC Workflows. CoRR (2022)
Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony
The Ghost of Performance Reproducibility Past. e-Science (2022)
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)
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 (2022)
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) (2022)
Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony
The Ghost of Performance Reproducibility Past. CoRR (2022)
André Merzky, Matteo Turilli, Shantenu Jha
RAPTOR: Ravenous Throughput Computing. CCGRID (2022)
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)
Weiming Hu, Guido Cervone, Matteo Turilli, André Merzky, Shantenu Jha
A Scalable Solution for Running Ensemble Simulations for Photovoltaic Energy. CoRR (2022)
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)
André Merzky, Matteo Turilli, Shantenu Jha
RAPTOR: Ravenous Throughput Computing. CoRR (2022)
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 (2021)
André Luckow, Kartik Rattan, Shantenu Jha
Pilot-Edge: Distributed Resource Management Along the Edge-to-Cloud Continuum. CoRR (2021)
André Luckow, Kartik Rattan, Shantenu Jha
Pilot-Edge: Distributed Resource Management Along the Edge-to-Cloud Continuum. IPDPS Workshops (2021)
Shantenu Jha, Allen D. Malony
Dynamic and Adaptive Monitoring and Analysis for Many-task Ensemble Computing. CLUSTER (2021)
André Merzky, Matteo Turilli, Mikhail Titov, Aymen Al-Saadi, Shantenu Jha
Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms. CoRR (2021)
Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Thomas D. Uram, Justin M. Wozniak
ExaWorks: Workflows for Exascale. WORKS (2021)
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 Wilkinson, Shantenu Jha
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC (2021)
Francis J. Alexander, James 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) (2021)
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 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)
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 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 (2021)
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 (2021)
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 Williams, Matthew Wolf, Justin M. Wozniak
Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development. CoRR (2021)
André Luckow, Kartik Rattan, Shantenu Jha
Exploring Task Placement for Edge-to-Cloud Applications using Emulation. ICFEC (2021)
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 (2021)
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 (2021)
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 (2021)
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)
André Luckow, Kartik Rattan, Shantenu Jha
Exploring Task Placement for Edge-to-Cloud Applications using Emulation. CoRR (2021)
Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Justin M. Wozniak
ExaWorks: Workflows for Exascale. CoRR (2021)
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)
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 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 (2021)
Aymen Alsaadi, André Merzky, Kyle Chard, Shantenu Jha, Matteo Turilli
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. CoRR (2021)
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) (2020)
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 (2020)
André Luckow, Shantenu Jha
Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications. IPDPS Workshops (2020)
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 (2020)
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 Wilkinson, Shantenu Jha
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR (2020)
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 (2020)
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)
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)
André Luckow, Shantenu Jha
Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications. CoRR (2020)
Hyungro Lee, Heng Ma, Matteo Turilli, Debsindhu Bhowmik, Shantenu Jha, Arvind Ramanathan
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. CoRR (2019)
André Luckow, Shantenu Jha
Performance Characterization and Modeling of Serverless and HPC Streaming Applications. CoRR (2019)
Ioannis Paraskevakos, Matteo Turilli, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha
Workflow Design Analysis for High Resolution Satellite Image Analysis. eScience (2019)
Vivek Balasubramanian, Shantenu Jha, André Merzky, Matteo Turilli
RADICAL-Cybertools: Middleware Building Blocks for Scalable Science. CoRR (2019)
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)
Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha
Middleware Building Blocks for Workflow Systems. Comput. Sci. Eng. 21 (4) (2019)
Geoffrey C. Fox, Shantenu Jha
Learning Everywhere: A Taxonomy for the Integration of Machine Learning and Simulations. CoRR (2019)
André Luckow, Shantenu Jha
Performance Characterization and Modeling of Serverless and HPC Streaming Applications. IEEE BigData (2019)
Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein
Parallel Performance of Molecular Dynamics Trajectory Analysis. CoRR (2019)
E. 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)
Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha
Characterizing the Performance of Executing Many-tasks on Summit. IPDRM@SC (2019)
Levi N. Naden, Sam Ellis, Shantenu Jha
MolSSI and BioExcel Workflow Workshop 2018 Report. CoRR (2019)
Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha
Characterizing the Performance of Executing Many-tasks on Summit. CoRR (2019)
Geoffrey C. Fox, Shantenu Jha
Learning Everywhere: A Taxonomy for the Integration of Machine Learning and Simulations. eScience (2019)
Shantenu Jha, Scott A. Lathrop, Jarek Nabrzyski, Lavanya Ramakrishnan
Incorporating Scientific Workflows in Computing Research Processes. Comput. Sci. Eng. 21 (4) (2019)
Geoffrey C. Fox, Shantenu Jha
Understanding ML driven HPC: Applications and Infrastructure. CoRR (2019)
Shantenu Jha, Geoffrey C. Fox
Understanding ML Driven HPC: Applications and Infrastructure. eScience (2019)
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)
Ioannis Paraskevakos, Matteo Turilli, Bento Collares Gonçalves, Heather J. Lynch, Shantenu Jha
Workflow Design Analysis for High Resolution Satellite Image Analysis. CoRR (2019)
Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha
Middleware Building Blocks for Workflow Systems. CoRR (2019)
Geoffrey C. Fox, James A. Glazier, J. C. S. Kadupitiya, Vikram Jadhao, Minje Kim, Judy Qiu, James P. Sluka, Endre T. Somogyi, Madhav Marathe, Abhijin Adiga, Jiangzhuo Chen, Oliver Beckstein, Shantenu Jha
Learning Everywhere: Pervasive Machine Learning for Effective High-Performance Computation. CoRR (2019)
Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan
Deep Generative Model Driven Protein Folding Simulations. PARCO (2019)
Geoffrey C. Fox, James A. Glazier, J. C. S. Kadupitiya, Vikram Jadhao, Minje Kim, Judy Qiu, James P. Sluka, Endre T. Somogyi, Madhav Marathe, Abhijin Adiga, Jiangzhuo Chen, Oliver Beckstein, Shantenu Jha
Learning Everywhere: Pervasive Machine Learning for Effective High-Performance Computation. IPDPS Workshops (2019)
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)
E. A. Huerta, Roland Haas, Shantenu Jha, Mark Neubauer, Daniel S. Katz
Supporting High-Performance and High-Throughput Computing for Experimental Science. CoRR (2018)
André Merzky, Matteo Turilli, Manuel Maldonado, Shantenu Jha
Design and Performance Characterization of RADICAL-Pilot on Titan. CoRR (2018)
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)
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 (2018)
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)
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)
Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha
Implementing Adaptive Ensemble Biomolecular Applications at Scale. CoRR (2018)

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Shantenu Jha