André Merzky

Publication Activity (10 Years)

Years Active: 1999-2024
Publications (10 Years): 43

Top Topics

Molecular Dynamics Simulations

Virtual Screening

Scientific Workflows

Top Venues

Publications

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)
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)
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)
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)
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)
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)
André Merzky, Matteo Turilli, Shantenu Jha
RAPTOR: Ravenous Throughput Computing. CCGRID (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)
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)
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)
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)
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)
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)
Aymen Alsaadi, André Merzky, Kyle Chard, Shantenu Jha, Matteo Turilli
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. CoRR (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 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)
Vivek Balasubramanian, Shantenu Jha, André Merzky, Matteo Turilli
RADICAL-Cybertools: Middleware Building Blocks for Scalable Science. CoRR (2019)
Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha
Middleware Building Blocks for Workflow Systems. Comput. Sci. Eng. 21 (4) (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)
Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha
Characterizing the Performance of Executing Many-tasks on Summit. CoRR (2019)
Matteo Turilli, Vivek Balasubramanian, André Merzky, Ioannis Paraskevakos, Shantenu Jha
Middleware Building Blocks for Workflow Systems. CoRR (2019)
André Merzky, Matteo Turilli, Manuel Maldonado, Shantenu Jha
Design and Performance Characterization of RADICAL-Pilot on Titan. CoRR (2018)
André Merzky, Matteo Turilli, Manuel Maldonado, Mark Santcroos, Shantenu Jha
Using Pilot Systems to Execute Many Task Workloads on Supercomputers. JSSPP (2018)
Ming Tai Ha, Matteo Turilli, André Merzky, Shantenu Jha
Towards General Distributed Resource Selection. CoRR (2018)
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 Wilkinson
Towards Exascale Computing for High Energy Physics: The ATLAS Experience at ORNL. eScience (2018)
Matteo Turilli, André Merzky, Vivek Balasubramanian, Shantenu Jha
Building Blocks for Workflow System Middleware. CCGrid (2018)
André Merzky, Ming Tai Ha, Matteo Turilli, Shantenu Jha
Synapse: Synthetic application profiler and emulator. J. Comput. Sci. 27 (2018)
André Merzky, Ming Tai Ha, Matteo Turilli, Shantenu Jha
Synapse: Synthetic Application Profiler and Emulator. CoRR (2018)
Matteo Turilli, Yadu Nand Babuji, André Merzky, Ming Tai Ha, Michael Wilde, Daniel S. Katz, Shantenu Jha
Evaluating Distributed Execution of Workloads. eScience (2017)
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)
Daniel S. Katz, André Merzky, Zhao Zhang, Shantenu Jha
Application skeletons: Construction and use in eScience. Future Gener. Comput. Syst. 59 (2016)
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) (2016)
André Merzky, Shantenu Jha
Synapse: Synthetic Application Profiler and Emulator. IPDPS Workshops (2016)
Matteo Turilli, Yadu Nand Babuji, André Merzky, Ming Tai Ha, Michael Wilde, Daniel S. Katz, Shantenu Jha
Analysis of Distributed Execution of Workloads. CoRR (2016)
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 (2016)
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)
André Merzky, Mark Santcroos, Matteo Turilli, Shantenu Jha
RADICAL-Pilot: Scalable Execution of Heterogeneous and Dynamic Workloads on Supercomputers. CoRR (2015)
André Merzky, Shantenu Jha
Synapse: Bridging the Gap Towards Predictable Workload Placement. CoRR (2015)
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 (2015)
Peter Tröger, André Merzky
Towards Standardized Job Submission and Control in Infrastructure Clouds. J. Grid Comput. 12 (1) (2014)
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)
André Luckow, Mark Santcroos, André Merzky, Ole Weidner, Pradeep Kumar Mantha, Shantenu Jha
P∗: A model of pilot-abstractions. eScience (2012)
André Luckow, Mark Santcroos, Ole Weidner, André Merzky, Sharath Maddineni, Shantenu Jha
Towards a common model for pilot-jobs. HPDC (2012)
Jarek Nabrzyski, Krzysztof Kurowski, Daniel S. Katz, André Merzky
Grid Computing: The Next Decade -- Report and Summary CoRR (2012)
André Luckow, Mark Santcroos, Ole Weidner, André Merzky, Pradeep Kumar Mantha, Shantenu Jha
P*: A Model of Pilot-Abstractions CoRR (2012)
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) (2011)
Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin 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)
Mathijs den Burger, Ceriel J. H. Jacobs, Thilo Kielmann, André Merzky, Ole Weidner, Hartmut Kaiser
What Is the Price of Simplicity? - A Cross-Platform Evaluation of the SAGA API. Euro-Par (1) (2010)
André Merzky, Katerina Stamou, Shantenu Jha
Application Level Interoperability between Clouds and Grids. GPC Workshops (2009)
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) (2009)
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)
Chris Miceli, Michael Miceli, Shantenu Jha, Hartmut Kaiser, André Merzky
Programming Abstractions for Data Intensive Computing on Clouds and Grids. CCGRID (2009)
André Luckow, Shantenu Jha, Joohyun Kim, André Merzky, Bettina Schnor
Distributed Replica-Exchange Simulations on Production Environments Using SAGA and Migol. eScience (2008)
Shantenu Jha, Hartmut Kaiser, André Merzky, Ole Weidner
Grid Interoperability at the Application Level Using SAGA. eScience (2007)
Ani Anciaux-Sedrakian, Rosa M. Badia, Raül Sirvent, Josep M. Pérez, Thilo Kielmann, André Merzky
GRID superscalar and job mapping on the reliable grid resources. CoreGRID Workshop - Making Grids Work (2007)
Stephan Hirmer, Hartmut Kaiser, André Merzky, Andrei Hutanu, Gabrielle Allen
Seamless Integration of Generic Bulk Operations in Grid Applications. OTM Workshops (1) (2006)
Hartmut Kaiser, André Merzky, Stephan Hirmer, Gabrielle Allen, Edward Seidel
Poster reception - The SAGA C++ reference implementation: a milestone toward new high-level grid applications. SC (2006)
Stephan Hirmer, Hartmut Kaiser, André Merzky, Andrei Hutanu, Gabrielle Allen
Generic support for bulk operations in grid applications. MGC@Middleware (2006)
André Severo Pereira Gomes, André Merzky, Lucas Visscher
A Framework for Execution of Computational Chemistry Codes in Grid Environments. International Conference on Computational Science (3) (2006)
Andrei Hutanu, Stephan Hirmer, Gabrielle Allen, André Merzky
Analysis of remote execution models for grid middleware. MGC@Middleware (2006)
Hartmut Kaiser, Kathrin Kirsch, André Merzky
Versioning and Consistency in Replica Systems. ISPA Workshops (2006)
Hans-Christian Hege, Andrei Hutanu, Ralf Kähler, André Merzky, Thomas Radke, Edward Seidel, Brygg Ullmer
Progressive Retrieval and Hierarchical Visualization of Large Remote Data. Scalable Comput. Pract. Exp. 6 (3) (2005)
Gabrielle Allen, Kelly Davis, Tom Goodale, Andrei Hutanu, Hartmut Kaiser, Thilo Kielmann, André Merzky, Rob van Nieuwpoort, Alexander Reinefeld, Florian Schintke, Thorsten Schütt, Ed Seidel, Brygg Ullmer
The Grid Application Toolkit: Toward Generic and Easy Application Programming Interfaces for the Grid. Proc. IEEE 93 (3) (2005)
Thilo Kielmann, André Merzky, Henri E. Bal, Françoise Baude, Denis Caromel, Fabrice Huet
Grid Application Programming Environments. Future Generation Grids (2004)
Thorsten Schütt, André Merzky, Andrei Hutanu, Florian Schintke
Remote partial file access using compact pattern descriptions. CCGRID (2004)
Gabrielle Allen, Tom Goodale, Thomas Radke, Michael Russell, Edward Seidel, Kelly Davis, Konstantinos Dolkas, Nikolaos D. Doulamis, Thilo Kielmann, André Merzky, Jarek Nabrzyski, Juliusz Pukacki, John Shalf, Ian J. Taylor
Enabling Applications on the Grid: A Gridlab Overview. Int. J. High Perform. Comput. Appl. 17 (4) (2003)
Michel Cosnard, André Merzky
Meta- and Grid-Computing. Euro-Par (2002)
Edward Seidel, Gabrielle Allen, André Merzky, Jarek Nabrzyski
GridLab--a grid application toolkit and testbed. Future Gener. Comput. Syst. 18 (8) (2002)
Gabrielle Allen, Dave Angulo, Tom Goodale, Thilo Kielmann, André Merzky, Jarek Nabrzyski, Juliusz Pukacki, Michael Russell, Thomas Radke, Edward Seidel, John Shalf, Ian J. Taylor
GridLab: Enabling Applications on the Grid. GRID (2002)
Stephan Olbrich, Tino Weinkauf, André Merzky, Harald Knipp, Hans-Christian Hege, Helmut Pralle
Lösungsansätze zur Visualisierung im High Performance Computing und Networking Kontext. DFN-Arbeitstagung über Kommunikationsnetze (2002)
Heinz Stockinger, Omer F. Rana, Reagan Moore, André Merzky
Data Management for Grid Environments. HPCN Europe (2001)
Gabrielle Allen, Werner Benger, Thomas Dramlitsch, Tom Goodale, Hans-Christian Hege, Gerd Lanfermann, André Merzky, Thomas Radke, Edward Seidel
Cactus Grid Computing: Review of Current Development. Euro-Par (2001)
Gabrielle Allen, Werner Benger, Thomas Dramlitsch, Tom Goodale, Hans-Christian Hege, Gerd Lanfermann, André Merzky, Thomas Radke, Edward Seidel, John Shalf
Cactus Tools for Grid Applications. Clust. Comput. 4 (3) (2001)
Gabrielle Allen, Thomas Dramlitsch, Tom Goodale, Gerd Lanfermann, Thomas Radke, Edward Seidel, Thilo Kielmann, Kees Verstoep, Zoltán Balaton, Péter Kacsuk, Ferenc Szalai, Jörn Gehring, Axel Keller, Achim Streit, Ludek Matyska, Miroslav Ruda, Ales Krenek, Harald Knipp, André Merzky, Alexander Reinefeld, Florian Schintke, Bogdan Ludwiczak, Jarek Nabrzyski, Juliusz Pukacki, Hans-Peter Kersken, Giovanni Aloisio, Massimo Cafaro, Wolfgang Ziegler, Michael Russell
Early Experiences with the EGrid Testbed. CCGRID (2001)
Gabrielle Allen, Werner Benger, Tom Goodale, Hans-Christian Hege, Gerd Lanfermann, André Merzky, Thomas Radke, Edward Seidel, John Shalf
The Cactus Code: A Problem Solving Environment for the Grid. HPDC (2000)
Gabrielle Allen, Tom Goodale, Gerd Lanfermann, Thomas Radke, Edward Seidel, Werner Benger, Hans-Christian Hege, André Merzky, Joan Massó, John Shalf
Solving Einstein's Equations on Supercomputers. Computer 32 (12) (1999)