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. ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. In 12th IEEE International Conference on e-Science, e-Science 2016, Baltimore, MD, USA, October 23-27, 2016. pages 361-370, IEEE, 2016. [doi]

Abstract

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