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HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine.
Rainier Barrett
Maghesree Chakraborty
Dilnoza Amirkulova
Heta A. Gandhi
Geemi P. Wellawatte
Andrew D. White
Published in:
J. Open Source Softw. (2020)
Keyphrases
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gpu accelerated
molecular dynamics
machine learning
real time
finite element
molecular dynamics simulations
scientific data
statistical methods
high performance computing
learning algorithm
protein folding
database
fluid flow