Heinen, S.
- Geometry Relaxation and Transition State Search throughout Chemical Compound Space with Quantum Machine Learning
2022/05/05 by S. Heinen, Guido Falk von Rudorff, Heinen, S. +3 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Protein Structure and Dynamics