William H. Green

Massachusetts Institute of Technology — United States

Materials Science · Physical Sciences

85h-index30.3kcitations1.1kworks3.52yr avg
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Research Topics

Machine Learning in Materials Science(145), Computational Drug Discovery Methods(128), Advanced Chemical Physics Studies(104), Advanced Combustion Engine Technologies(96), Catalysis and Oxidation Reactions(86)

Publications1.1k total

Digitized dataset of aqueous dissociation constants
2026Open Access
Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next
ACS Engineering Au·2026· 1 citedOpen Access
Supporting information for: "Digitized dataset of aqueous dissociation constants"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Supporting information for: "Digitized dataset of aqueous dissociation constants"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Accurately Predicting Solubility Curves via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles
Journal of the American Chemical Society·2025Open Access
PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction
The Journal of Physical Chemistry A·2025
A health economics assessment of self-care with over-the-counter ibuprofen in dysmenorrhoea, migraine and acute rhinosinusitis in the United Kingdom
Cost Effectiveness and Resource Allocation·2025Open Access
PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction
2025
Review for "Patient-derived variants define constraints for ligand binding at the PDZ domain of CASK"
2025
RIGR: Resonance-Invariant Graph Representation for Molecular Property Prediction
Journal of Chemical Information and Modeling·2025· 2 cited
RIGR: Resonance Invariant Graph Representation for Molecular Property Prediction
2025Open Access
Dispersive estimates for fractional order Schrödinger operators
arXiv (Cornell University)·2025Open Access
The $L^p$-continuity of wave operators for fractional order Schrödinger operators
arXiv (Cornell University)·2025Open Access
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
2025Open Access
A Comprehensive Costing and Emissions Analysis of Blue, Green, and Combined Blue-Green Ammonia Production
Energy & Fuels·2025· 4 cited
Data-driven organic solubility prediction at the limit of aleatoric uncertainty
Nature Communications·2025· 10 citedOpen Access
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models
Journal of the American Chemical Society·2025· 1 cited
Accurately predicting solubility curves via a thermodynamic cycle, machine learning, and solvent ensembles
2025Open Access
Precontact Use of Balsam Fir (Abies balsamea) in Iowa, USA
Ethnobiology Letters·2025Open Access
Automatic Generation of Chemical Mechanisms for Electrochemical Systems: Solid Electrolyte Interphase Formation in Lithium Batteries
The Journal of Physical Chemistry C·2025· 2 cited
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Frequent Co-authors

Connor W. Coley(11), Klavs F. Jensen(11), Colin A. Grambow(5), C. Franklin Goldsmith(5), Luke Rogers(4), Regina Barzilay(4), Tommi Jaakkola(4), Richard H. West(3), Thomas J. Struble(3), Yunsie Chung(3), Florence H. Vermeire(3), Haoyang Wu(3), Lagnajit Pattanaik(3), Hanyu Gao(2), Timothy F. Jamison(2), Oliver J. Watson(2), Charles Whittaker(2), Marc Baguelin(2), John A. Lees(2), Lilith K. Whittles(2)