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]

Authors

Vivekanandan Balasubramanian

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Iain Bethune

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Ardita Shkurti

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Elena Breitmoser

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Eugen Hruska

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Cecilia Clementi

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Charles A. Laughton

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Shantenu Jha

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