starting date pendingESPRIT

Accurate Free Energies using Machine-Learned Potentials

Präzise Freie Energien mit Hilfe von ML-Potentialen

Principal Investigator

Keywords

Computational ChemistryMolecular Dynamics SimulationMachine Learned PotentialsFree EnergiesGraph Neural Networks

Research Disciplines

Machine learningTheoretical chemistryComputational chemistry

This project has no linked research outputs in the database.

No additional funding sources recorded.