35 citations · 180 across the 39 of their papers we have counts for
3 papers · 1 filter
Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution
Edgar Ivan Sanchez Medina, Steffen Linke, Martin Stoll +1
The accurate prediction of physicochemical properties of chemical compounds in mixtures (such as the activity coefficient at infinite dilution ) is essential for dev…
A comparison of PINN approaches for drift-diffusion equations on metric graphs
Jan Blechschmidt, Jan-Frederik Pietschman, Tom-Christian Riemer +2
In this paper we focus on comparing machine learning approaches for quantum graphs, which are metric graphs, i.e., graphs with dedicated edge lengths, and an associated differentia…
Preconditioning for a Phase-Field Model with Application to Morphology Evolution in Organic Semiconductors
Kai Bergermann, Carsten Deibel, Roland Herzog +3
The Cahn--Hilliard equations are a versatile model for describing the evolution of complex morphologies. In this paper we present a computational pipeline for the numerical solutio…