Thomas Weymuth

1. Inverse quantum chemistry: Concepts and strategies for rational compound design
   2014/04/25 by Thomas Weymuth, Markus Reiher · 3 citations
   Materials Science · Chemistry · #Machine Learning in Materials Science #Organic Chemistry Cycloaddition Reactions #Synthesis and Properties of Aromatic Compounds
2. Gradient‐driven molecule construction: An inverse approach applied to the design of small‐molecule fixating catalysts
   2014/04/25 by Thomas Weymuth, Markus Reiher · 3 citations
   Materials Science · Engineering · Chemistry · #Machine Learning in Materials Science #Surface Chemistry and Catalysis #Nanomaterials for catalytic reactions
3. How to Use Quantum Computers for Biomolecular Free Energies
   2025/06/25 by Jakob Günther, Thomas Weymuth, Günther, Jakob +44 · 2 voices · 2 citations
   Computer Science · #Quantum Computing Algorithms and Architecture
4. Classification of electronic structures and state preparation for quantum computation of reaction chemistry
   2024/09/13 by Maximilian Mörchen, Guang Hao Low, Mörchen, Maximilian +9 · 1 voice · 2 citations
   Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies #physics.chem-ph #physics.comp-ph