Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session K21: Emerging Trends in Molecular Dynamics Simulations and Data Analytics I
8:00 AM–11:00 AM,
Wednesday, March 6, 2019
BCEC
Room: 157B
Sponsoring
Unit:
DCOMP
Chair: Rajiv Kalia, University of Southern California
Abstract: K21.00010 : Machine Learning for Auto-tuning of Simulation Parameters in Car-Parrinello Molecular Dynamics*
10:36 AM–10:48 AM
Presenter:
Jayanath Chamindu Kadupitige
(Intelligent Systems Engineering, Indiana University Bloomington)
Authors:
Jayanath Chamindu Kadupitige
(Intelligent Systems Engineering, Indiana University Bloomington)
Geoffrey C Fox
(Intelligent Systems Engineering, Indiana University Bloomington)
Vikram Jadhao
(Intelligent Systems Engineering, Indiana University Bloomington)
*This work is supported by the National Science Foundation through Award 1720625.
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