Fast prediction of temperature-dependent infinite dilution activity coefficients. Comparative prediction quality to state-of-the-art matrix completion methods.

Jun 23, 2022 · Abstract:Ionic liquids (ILs) are important solvents for sustainable processes and predicting activity coefficients (ACs) of solutes in ILs ...

Graph neural networks for activity coefficient prediction of solutes in ionic liquids. · Fast prediction of temperature-dependent infinite dilution activity ...

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids ... Ionic liquids (ILs) are important solvents for ...

Jun 23, 2022 · Graph neural network model for prediction of the temperature-dependent infinite dilution activity coefficient of solutes in ionic liquids. σ) to ...

Jun 23, 2022 · Ionic liquids (ILs) are important solvents for sustainable processes and predicting activity coefficients (ACs) of solutes in ILs is needed.

May 29, 2022 · This is the source code for the paper Graph neural networks for predicting temperature-dependent activity coefficients of solutes in ionic ...

This includes methods for predicting infinite dilution activity coefficients from molecular structures and closely related solvation free energies using matrix ...

Ionic liquids (ILs) are important solvents for sustainable processes and predicting activity coefficients (ACs) of solutes in ILs is needed.

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids. Rittig, Jan Gerald; Ben Hicham, Karim ...