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Publications
Proceedings
2020 Virtual AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
The Industrial Fluid Properties Simulation Challenge
2020 Virtual AIChE Annual Meeting
Session: The Industrial Fluid Properties Simulation Challenge
Co-Chairs
Jonathan Moore
, Dow
Daniel Siderius
Presentations
08:00 AM
(697a) In silico veritas (Do we trust computers?)
Erich A. Muller
08:15 AM
(697b) 20 years of Industrial Fluid Properties Simulation Challenge: A personal review from the COSMO-RS perspective
Andreas Klamt
08:30 AM
(697c) Physical Property Prediction with Atomistic Simulations: What Might the Future Hold?
Ed Maginn, Ryan S. DeFever, Bridgette Befort, Yong Zhang, Alexander Dowling
08:45 AM
(697d) May the force field be with you! An atomistic saga to find the ultimate force field
M. Göktug Ahunbay
09:00 AM
(697e) Predicting physical properties by combining molecular simulations and machine leaning
Huai Sun, Yan Xiang