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SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients
9 September 2022
Benedikt Winter
Clemens Winter
Timm Esper
J. Schilling
A. Bardow
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ArXiv (abs)
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Papers citing
"SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients"
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Title
Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction
E. Medina
K. Sundmacher
90
0
0
26 Feb 2025
GraphXForm: Graph transformer for computer-aided molecular design
Jonathan Pirnay
Jan G. Rittig
Alexander B. Wolf
Martin Grohe
Jakob Burger
Alexander Mitsos
D. G. Grimm
AI4CE
159
1
0
03 Nov 2024
1