697 The Industrial Fluid Properties Simulation Challenge

Thursday, November 19, 2020: 8:00 AM - 9:00 AM
Computational Molecular Science and Engineering Forum (21) (PreRecorded+)

Description:
Contributions describing entries in the Industrial Fluid Properties Simulation Challenge

Sponsor:
Computational Molecular Science and Engineering Forum
Co-chairs:
Jonathan D. Moore Email: jmoore2@dow.com
Daniel W. Siderius Email: daniel.siderius@nist.gov


(697a) In silico veritas (Do we trust computers?)
Erich A. Muller


(697b) 20 years of Industrial Fluid Properties Simulation Challenge: A personal review from the COSMO-RS perspective
Andreas Klamt


(697c) Physical Property Prediction with Atomistic Simulations: What Might the Future Hold?
Ryan S. DeFever, Bridgette Befort, Yong Zhang, Alexander W. Dowling and Ed Maginn


(697d) May the force field be with you! An atomistic saga to find the ultimate force field
M. Göktug Ahunbay


(697e) Predicting physical properties by combining molecular simulations and machine leaning
Huai Sun and Yan Xiang
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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