A machine learning free energy functional for the 1D reference interaction site model: towards prediction of solvation free energy for all solvent systems

Jonathan G. M. Conn, Abdullah Ahmad, David S. Palmer*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Downloads (Pure)

Fingerprint

Dive into the research topics of 'A machine learning free energy functional for the 1D reference interaction site model: towards prediction of solvation free energy for all solvent systems'. Together they form a unique fingerprint.

Chemistry

Chemical Engineering