289 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Flatiron Health (United States)US3 papers
- Flatiron Institute3 papers
- Columbia UniversityUS2 papers
- KU LeuvenBE2 papers
- Boreskov Institute of CatalysisRU1 paper
- Brookhaven CollegeUS1 paper
- California Institute of TechnologyUS1 paper
- Cancer Genomics CentreNL1 paper
- Chalmers University of TechnologySE1 paper
- Chinese Academy of SciencesCN1 paper
- Collaborative Innovation Center of Chemistry for Energy MaterialsCN1 paper
- ConvergenceUS1 paper
Showing 2025 · physics.chem-phShow all
2 papers · 2 filters
physics.chem-ph2025★ 1 cited
Quantum Chemistry Driven Molecular Inverse Design with Data-free Reinforcement Learning
Francesco Calcagno, Luca Serfilippi, Giorgio Franceschelli +3
The inverse design of molecules has challenged chemists for decades. In the past years, machine learning and artificial intelligence have emerged as new tools to generate molecules…
physics.chem-ph2025★ 30 cited
Decoding the Competing Effects of Dynamic Solvation Structures on Nuclear Magnetic Resonance Chemical Shifts of Battery Electrolytes via Machine Learning
Qi You, Yan Sun, Feng Wang +2
Understanding the solvation structure of electrolytes is critical for optimizing the electrochemical performance of rechargeable batteries, as it directly influences properties suc…