An optimal parallel implementation of Markov Clustering based on the coordination of CPU and GPU

2017 ◽  
Vol 32 (5) ◽  
pp. 3609-3617 ◽  
Author(s):  
Luwei He ◽  
Lu Lu ◽  
Qiang Wang
2018 ◽  
Vol 46 (6) ◽  
pp. e33-e33 ◽  
Author(s):  
Ariful Azad ◽  
Georgios A Pavlopoulos ◽  
Christos A Ouzounis ◽  
Nikos C Kyrpides ◽  
Aydin Buluç

2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


2010 ◽  
Vol 30 (7) ◽  
pp. 1983-1986
Author(s):  
Bin HAN ◽  
Wen-yun SUN ◽  
Fei ZHOU ◽  
Shi-tong WANG

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