ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. - Vivekanandan Balasubramanian; Iain Bethune; Ardita Shkurti; Elena Breitmoser; Eugen Hruska; Cecilia Clementi; Charles A. Laughton; Shantenu Jha (eScience, 2016)

Ensemble Toolkit: Scalable and Flexible Execution of Ensembles of Tasks. - Vivekanandan Balasubramanian; Antons Treikalis; Ole Weidner; Shantenu Jha (ICPP, 2016)

EnsembleMD Toolkit: Scalable and Flexible Execution of Ensembles of Molecular Simulations. - Vivekanandan Balasubramanian; Antons Treikalis; Ole Weidner; Shantenu Jha (CoRR, 2016)

Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications. - Vivek Balasubramanian; Matteo Turilli; Weiming Hu; Matthieu Lefebvre; Wenjie Lei; Guido Cervone; Jeroen Tromp; Shantenu Jha (CoRR, 2017)

Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight. - Jumana Dakka; Kristof Farkas-Pall; Vivek Balasubramanian; Matteo Turilli; Shunzhou Wan; David W. Wright 001; Stefan J. Zasada; Peter V. Coveney; Shantenu Jha (CCGrid, 2018)

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

Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications. - Vivek Balasubramanian; Matteo Turilli; Weiming Hu; Matthieu Lefebvre; Wenjie Lei; Ryan T. Modrak; Guido Cervone; Jeroen Tromp; Shantenu Jha (IPDPS, 2018)

High-throughput binding affinity calculations at extreme scales. - Jumana Dakka; Matteo Turilli; David W. Wright 001; Stefan J. Zasada; Vivek Balasubramanian; Shunzhou Wan; Peter V. Coveney; Shantenu Jha (BMC Bioinform., 2018)

Rapid, concurrent and adaptive extreme scale binding free energy calculation. - Jumana Dakka; Kristof Farkas-Pall; Vivek Balasubramanian; Matteo Turilli; David W. Wright 001; Shunzhou Wan; Stefan J. Zasada; Peter V. Coveney; Shantenu Jha (CoRR, 2018)

Implementing Adaptive Ensemble Biomolecular Applications at Scale. - Vivek Balasubramanian; Travis Jensen; Matteo Turilli; Peter M. Kasson; Michael R. Shirts; Shantenu Jha (CoRR, 2018)

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)

Adaptive Ensemble Biomolecular Applications at Scale. - Vivek Balasubramanian; Travis Jensen; Matteo Turilli; Peter M. Kasson; Michael R. Shirts; Shantenu Jha (SN Comput. Sci., 2020)