Solving Einstein's Equations on Supercomputers. - Gabrielle Allen; Tom Goodale; Gerd Lanfermann; Thomas Radke; Edward Seidel; Werner Benger; Hans-Christian Hege; André Merzky; Joan Massó; John Shalf (Computer, 1999)

The Cactus Code: A Problem Solving Environment for the Grid. - Gabrielle Allen; Werner Benger; Tom Goodale; Hans-Christian Hege; Gerd Lanfermann; André Merzky; Thomas Radke; Edward Seidel; John Shalf (HPDC, 2000)

Early Experiences with the EGrid Testbed. - Gabrielle Allen; Thomas Dramlitsch; Tom Goodale; Gerd Lanfermann; Thomas Radke; Edward Seidel; Thilo Kielmann; Kees Verstoep; Zoltán Balaton; Péter Kacsuk; Ferenc Szalai; Jörn Gehring; et al. (CCGRID, 2001)

Cactus Grid Computing: Review of Current Development. - Gabrielle Allen; Werner Benger; Thomas Dramlitsch; Tom Goodale; Hans-Christian Hege; Gerd Lanfermann; André Merzky; Thomas Radke; Edward Seidel (Euro-Par, 2001)

Data Management for Grid Environments. - Heinz Stockinger; Omer F. Rana; Reagan W. Moore; André Merzky (HPCN Europe, 2001)

Cactus Tools for Grid Applications. - Gabrielle Allen; Werner Benger; Thomas Dramlitsch; Tom Goodale; Hans-Christian Hege; Gerd Lanfermann; André Merzky; Thomas Radke; Edward Seidel; John Shalf (Clust. Comput., 2001)

Lösungsansätze zur Visualisierung im High Performance Computing und Networking Kontext. - Stephan Olbrich; Tino Weinkauf; André Merzky; Harald Knipp; Hans-Christian Hege; Helmut Pralle (DFN-Arbeitstagung über Kommunikationsnetze, 2002)

Meta- and Grid-Computing. - Michel Cosnard; André Merzky (Euro-Par, 2002)

GridLab: Enabling Applications on the Grid. - 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 (GRID, 2002)

GridLab–a grid application toolkit and testbed. - Edward Seidel; Gabrielle Allen; André Merzky; Jarek Nabrzyski (Future Gener. Comput. Syst., 2002)

Enabling Applications on the Grid: A Gridlab Overview. - 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; et al. (Int. J. High Perform. Comput. Appl., 2003)

Remote partial file access using compact pattern descriptions. - Thorsten Schütt; André Merzky; Andrei Hutanu; Florian Schintke (CCGRID, 2004)

Grid Application Programming Environments. - Thilo Kielmann; André Merzky; Henri E. Bal; Françoise Baude; Denis Caromel; Fabrice Huet (Future Generation Grids, 2004)

The Grid Application Toolkit: Toward Generic and Easy Application Programming Interfaces for the Grid. - 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; et al. (Proc. IEEE, 2005)

Progressive Retrieval and Hierarchical Visualization of Large Remote Data. - Hans-Christian Hege; Andrei Hutanu; Ralf Kähler; André Merzky; Thomas Radke; Edward Seidel; Brygg Ullmer (Scalable Comput. Pract. Exp., 2005)

A Framework for Execution of Computational Chemistry Codes in Grid Environments. - André Severo Pereira Gomes; André Merzky; Lucas Visscher (International Conference on Computational Science (3), 2006)

Versioning and Consistency in Replica Systems. - Hartmut Kaiser; Kathrin Kirsch; André Merzky (ISPA Workshops, 2006)

Generic support for bulk operations in grid applications. - Stephan Hirmer; Hartmut Kaiser; André Merzky; Andrei Hutanu; Gabrielle Allen (MGC@Middleware, 2006)

Analysis of remote execution models for grid middleware. - Andrei Hutanu; Stephan Hirmer; Gabrielle Allen; André Merzky (MGC@Middleware, 2006)

Seamless Integration of Generic Bulk Operations in Grid Applications. - Stephan Hirmer; Hartmut Kaiser; André Merzky; Andrei Hutanu; Gabrielle Allen (OTM Workshops (1), 2006)

Poster reception - The SAGA C++ reference implementation: a milestone toward new high-level grid applications. - Hartmut Kaiser; André Merzky; Stephan Hirmer; Gabrielle Allen; Edward Seidel (SC, 2006)

GRID superscalar and job mapping on the reliable grid resources. - Ani Anciaux-Sedrakian; Rosa M. Badia; Raül Sirvent; Josep M. Pérez; Thilo Kielmann; André Merzky (CoreGRID Workshop - Making Grids Work, 2007)

Grid Interoperability at the Application Level Using SAGA. - Shantenu Jha; Hartmut Kaiser; André Merzky; Ole Weidner (eScience, 2007)

Distributed Replica-Exchange Simulations on Production Environments Using SAGA and Migol. - André Luckow; Shantenu Jha; Joohyun Kim 001; André Merzky; Bettina Schnor (eScience, 2008)

Programming Abstractions for Data Intensive Computing on Clouds and Grids. - Chris Miceli; Michael Miceli; Shantenu Jha; Hartmut Kaiser; André Merzky (CCGRID, 2009)

A Fresh Perspective on Developing and Executing DAG-Based Distributed Applications: A Case-Study of SAGA-Based Montage. - André Merzky; Katerina Stamou; Shantenu Jha; Daniel S. Katz (eScience, 2009)

Application Level Interoperability between Clouds and Grids. - André Merzky; Katerina Stamou; Shantenu Jha (GPC Workshops, 2009)

Using clouds to provide grids with higher levels of abstraction and explicit support for usage modes. - Shantenu Jha; André Merzky; Geoffrey C. Fox (Concurr. Comput. Pract. Exp., 2009)

What Is the Price of Simplicity? - A Cross-Platform Evaluation of the SAGA API. - Mathijs den Burger; Ceriel J. H. Jacobs; Thilo Kielmann; André Merzky; Ole Weidner; Hartmut Kaiser (Euro-Par (1), 2010)

Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences. - Owain Kenway; David W. Wright 001; Helmut Heller; André Merzky; Gavin J. Pringle; Jules Wolfrat; Peter V. Coveney; Shantenu Jha (TG, 2011)

Understanding application-level interoperability: Scaling-out MapReduce over high-performance grids and clouds. - Saurabh Sehgal; Miklós Erdélyi; André Merzky; Shantenu Jha (Future Gener. Comput. Syst., 2011)

P∗: A model of pilot-abstractions. - André Luckow; Mark Santcroos; André Merzky; Ole Weidner; Pradeep Kumar Mantha; Shantenu Jha (eScience, 2012)

Towards a common model for pilot-jobs. - André Luckow; Mark Santcroos; Ole Weidner; André Merzky; Sharath Maddineni; Shantenu Jha (HPDC, 2012)

The anatomy of successful ECSS projects: lessons of supporting high-throughput high-performance ensembles on XSEDE. - Melissa Romanus; Pradeep Kumar Mantha; Matt McKenzie; Thomas C. Bishop; Emilio Gallicchio; André Merzky; Yaakoub El Khamra; Shantenu Jha (XSEDE, 2012)

Grid Computing: The Next Decade – Report and Summary - Jarek Nabrzyski; Krzysztof Kurowski; Daniel S. Katz; André Merzky (CoRR, 2012)

Towards Standardized Job Submission and Control in Infrastructure Clouds. - Peter Tröger; André Merzky (J. Grid Comput., 2014)

Synapse: Bridging the Gap Towards Predictable Workload Placement. - André Merzky; Shantenu Jha (CoRR, 2015)

RADICAL-Pilot: Scalable Execution of Heterogeneous and Dynamic Workloads on Supercomputers. - André Merzky; Mark Santcroos; Matteo Turilli; Shantenu Jha (CoRR, 2015)

RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations. - Antons Treikalis; André Merzky; Haoyuan Chen; Tai-Sung Lee; Darrin M. York; Shantenu Jha (ICPP, 2016)

Synapse: Synthetic Application Profiler and Emulator. - André Merzky; Shantenu Jha (IPDPS Workshops, 2016)

Integrating Abstractions to Enhance the Execution of Distributed Applications. - Matteo Turilli; Feng Liu; Zhao Zhang 007; André Merzky; Michael Wilde; Jon B. Weissman; Daniel S. Katz; Shantenu Jha (IPDPS, 2016)

Analysis of Distributed Execution of Workloads. - Matteo Turilli; Yadu Nand Babuji; André Merzky; Ming Tai Ha; Michael Wilde; Daniel S. Katz; Shantenu Jha (CoRR, 2016)

Application skeletons: Construction and use in eScience. - Daniel S. Katz; André Merzky; Zhao Zhang 007; Shantenu Jha (Future Gener. Comput. Syst., 2016)

Application Skeleton: Generating Synthetic Applications for Infrastructure Research. - Zhao Zhang 007; Daniel S. Katz; André Merzky; Matteo Turilli; Shantenu Jha; Yadu Nand Babuji (J. Open Source Softw., 2016)

Evaluating Distributed Execution of Workloads. - Matteo Turilli; Yadu Nand Babuji; André Merzky; Ming Tai Ha; Michael Wilde; Daniel S. Katz; Shantenu Jha (eScience, 2017)

Building Blocks for Workflow System Middleware. - Matteo Turilli; André Merzky; Vivek Balasubramanian; Shantenu Jha (CCGrid, 2018)

Towards Exascale Computing for High Energy Physics: The ATLAS Experience at ORNL. - 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; et al. (eScience, 2018)

Using Pilot Systems to Execute Many Task Workloads on Supercomputers. - André Merzky; Matteo Turilli; Manuel Maldonado; Mark Santcroos; Shantenu Jha (JSSPP, 2018)

Design and Performance Characterization of RADICAL-Pilot on Titan. - André Merzky; Matteo Turilli; Manuel Maldonado; Shantenu Jha (CoRR, 2018)

Towards General Distributed Resource Selection. - Ming Tai Ha; Matteo Turilli; André Merzky; Shantenu Jha (CoRR, 2018)

Synapse: Synthetic application profiler and emulator. - André Merzky; Ming Tai Ha; Matteo Turilli; Shantenu Jha (J. Comput. Sci., 2018)

Characterizing the Performance of Executing Many-tasks on Summit. - Matteo Turilli; André Merzky; Thomas J. Naughton; Wael R. Elwasif; Shantenu Jha (IPDRM@SC, 2019)

RADICAL-Cybertools: Middleware Building Blocks for Scalable Science. - Vivek Balasubramanian; Shantenu Jha; André Merzky; Matteo Turilli (CoRR, 2019)

Middleware Building Blocks for Workflow Systems. - Matteo Turilli; Vivek Balasubramanian; André Merzky; Ioannis Paraskevakos; Shantenu Jha (Comput. Sci. Eng., 2019)

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. - 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; et al. (CoRR, 2020)

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. - 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; et al. (ICPP, 2021)

Scalable HPC & AI infrastructure for COVID-19 therapeutics. - 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; et al. (PASC, 2021)

ExaWorks: Workflows for Exascale. - 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; et al. (WORKS, 2021)

Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. - 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; et al. (CoRR, 2021)

RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. - Aymen Alsaadi; André Merzky; Kyle Chard; Shantenu Jha; Matteo Turilli (CoRR, 2021)

Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development. - 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; et al. (CoRR, 2021)

Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening. - 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 (CoRR, 2021)

ExaWorks: Workflows for Exascale. - 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; et al. (CoRR, 2021)

RAPTOR: Ravenous Throughput Computing. - André Merzky; Matteo Turilli; Shantenu Jha (CCGRID, 2022)

RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources. - Mikhail Titov; Matteo Turilli; André Merzky; Thomas J. Naughton; Wael R. Elwasif; Shantenu Jha (JSSPP, 2022)

RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. - Aymen Alsaadi; Logan T. Ward; André Merzky; Kyle Chard; Ian T. Foster; Shantenu Jha; Matteo Turilli (WORKS@SC, 2022)

A Scalable Solution for Running Ensemble Simulations for Photovoltaic Energy. - Weiming Hu; Guido Cervone; Matteo Turilli; André Merzky; Shantenu Jha (CoRR, 2022)

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. - 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; et al. (J. Chem. Inf. Model., 2022)

Design and Performance Characterization of RADICAL-Pilot on Leadership-Class Platforms. - André Merzky; Matteo Turilli; Mikhail Titov; Aymen Al-Saadi; Shantenu Jha (IEEE Trans. Parallel Distributed Syst., 2022)

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs. - 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; et al. (e-Science, 2023)

Workflow Mini-Apps: Portable, Scalable, Tunable & Faithful Representations of Scientific Workflows. - Ozgur O. Kilic; Tianle Wang 001; Matteo Turilli; Mikhail Titov; André Merzky; Line Pouchard; Shantenu Jha (CCGrid, 2024)

Radical-Cylon: A Heterogeneous Data Pipeline for Scientific Computing. - 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 (JSSPP, 2024)

Design and Implementation of an Analysis Pipeline for Heterogeneous Data. - 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 (CoRR, 2024)

ExaWorks Software Development Kit: A Robust and Scalable Collection of Interoperable Workflow Technologies. - 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; et al. (CoRR, 2024)

Exascale Workflow Applications and Middleware: An ExaWorks Retrospective. - Aymen Alsaadi; Mihael Hategan-Marandiuc; Ketan Maheshwari; André Merzky; Mikhail Titov; Matteo Turilli; Andreas Wilke; Justin M. Wozniak; Kyle Chard; Rafael Ferreira da Silva; Shantenu Jha; Daniel E. Laney (CoRR, 2024)

Adaptive Protein Design Protocols and Middleware. - Aymen Alsaadi; Jonathan Ash; Mikhail Titov; Matteo Turilli; André Merzky; Shantenu Jha; Sagar Khare (IPDPS (Workshops), 2025)

Scalable Runtime Architecture for Data-driven, Hybrid HPC and ML Workflow Applications. - André Merzky; Mikhail Titov; Matteo Turilli; Ozgur O. Kilic; Tianle Wang 001; Shantenu Jha (IPDPS (Workshops), 2025)