Search Results for author: Mahzad Khoshlessan

Found 2 papers, 2 papers with code

Parallel Performance of Molecular Dynamics Trajectory Analysis

1 code implementation28 Jun 2019 Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein

The performance of biomolecular molecular dynamics simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations is becoming a bottleneck.

Distributed, Parallel, and Cluster Computing Quantitative Methods D.1.3; J.2

Task-parallel Analysis of Molecular Dynamics Trajectories

1 code implementation23 Jan 2018 Ioannis Paraskevakos, Andre Luckow, Mahzad Khoshlessan, George Chantzialexiou, Thomas E. Cheatham, Oliver Beckstein, Geoffrey C. Fox, Shantenu Jha

We also provide a quantitative performance analysis of the different algorithms across the three frameworks.

Distributed, Parallel, and Cluster Computing

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