Projekt

Präzise Freie Energien mit Hilfe von ML-Potentialen

Computational Chemistry, Molecular Dynamics Simulation, Machine Learned Potentials, Free Energies, Graph Neural Networks, Naturwissenschaften, Chemie, Informatik, Machine Learning, Theoretische Chemie, Computational Chemistry

• Computational Chemistry
• Molecular Dynamics Simulation
• Machine Learned Potentials
• Free Energies
• Graph Neural Networks
• Naturwissenschaften
• Chemie
• Informatik