The COSMO and COSMO‐RS solvation models

• Multi-fidelity graph neural networks for predicting toluene/water partition coefficients

  2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

  8

  citations
• Beyond Phase Equilibria: Selecting Suitable Solvent Systems for Reactive Extraction of Carboxylic Acids

  2025 Annual Review of Chemical and Biomolecular Engineering review Engineering Phase Equilibria and Thermodynamics Open access

  11

  citations
• Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library

  2022 The Journal of Physical Chemistry B article Physics and Astronomy Advanced Chemical Physics Studies Open access

  11

  citations
• Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies

  8

  citations
• Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

  2022 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations

5 results