Jessica Wahlers
University of Notre Dame(US)
Publications by Year
Research Areas
Asymmetric Hydrogenation and Catalysis, Machine Learning in Materials Science, Computational Drug Discovery Methods, Chemical Synthesis and Analysis, Surface Chemistry and Catalysis
Most-Cited Works
- → Rapid virtual screening of enantioselective catalysts using CatVS(2018)145 cited
- → Application of Q2MM to predictions in stereoselective synthesis(2018)68 cited
- → Solvation Structure and Concentration in Glyme-Based Sodium Electrolytes: A Combined Spectroscopic and Computational Study(2016)53 cited
- → Proofreading experimentally assigned stereochemistry through Q2MM predictions in Pd-catalyzed allylic aminations(2021)15 cited
- → Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Quantum-Guided Molecular Mechanics(2021)7 cited
- → On the Use of Real-World Datasets for Reaction Yield Prediction(2021)7 cited
- → A Quantum-Guided Molecular Mechanics Force Field for the Ferrocene Scaffold(2022)6 cited
- → Graph Neural Networks for Predicting Chemical Reaction Performance(2021)5 cited