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Publications
Proceedings
2022 Annual Meeting
Computational Molecular Science and Engineering Forum
The Industrial Fluid Properties Simulation Challenge
2022 Annual Meeting
Session: The Industrial Fluid Properties Simulation Challenge
Chair
Jonathan Moore
, DOW
Co-Chair
Daniel Siderius
Presentations
12:30 PM
(711A) Correlating and Predicting Thermodynamic Properties of Fluid Mixtures in Phase Equilibrium and Adsorption Equilibria
Chau-Chyun Chen
01:00 PM
(711B) Machine Learning for Predicting the Viscosity of Binary Liquid Mixtures
Camille Bilodeau, Andrei Kazakov, Sukrit Mukhopadhyay, Jillian Emerson, Tom Kalantar, Chris Muzny, Regina Barzilay, Klavs Jensen
01:30 PM
(711C) Computational evaluation of liquid mixtures using physics-based models and machine learning
Mohammad Atif Faiz Afzal, Garvit Agarwal, Andrea Browning, Mathew D. Halls
02:00 PM
(711D) Predicting Properties of Ionic Liquid Mixtures Using Molecular Simulations and Machine Learning
Jindal Shah
02:30 PM
(711E) A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures
Marianna Yiannourakou, Xavier Rozanska, Benoit Minisini
