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FastNBL: fast neighbor lists establishment for molecular dynamics simulation based on bitwise operations.
Kun Li
Shigang Li
Shan Huang
Yifeng Chen
Yunquan Zhang
Published in:
J. Supercomput. (2020)
Keyphrases
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molecular dynamics
high performance computing
molecular dynamics simulations
scientific data
protein folding
fluid flow
database
data management
database systems
state space
management system
high throughput
data generation