von Lilienfeld, O. A.

1. First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties
   2012/09/23 by O. Anatole von Lilienfeld, O. A. von Lilienfeld, von Lilienfeld, O. A. · 2 citations
   Chemistry · Computer Science · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #History and advancements in chemistry #Machine Learning in Materials Science #physics.chem-ph
2. 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