Michael G. Taylor

Publications

1. Heterocyclic Modification Leading to Luminescent 0D Metal Organochalcogenide with Stable X-ray Scintillating Properties (2024)
2. Assessing the Performance of Approximate Density Functional Theory on 95 Experimentally Characterized Fe(II) Spin Crossover Complexes (2023)
3. Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes (2023)
4. Ligand Additivity Relationships Enable Efficient Exploration of Transition Metal Chemical Space (2022)
5. Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character Across Known Transition Metal Complex Ligands (2022)
6. Large-scale Screening Reveals Geometric Structure Matters More than Electronic Structure in Bioinspired Catalyst Design of Formate Dehydrogenase Mimics (2022)
7. Computational Discovery of Transition-Metal Complexes: From High-throughput Screening to Machine Learning (2021)
8. Deciphering Cryptic Behavior in Bimetallic Transition Metal Complexes with Machine Learning (2021)
9. Machine learning to tame divergent density functional approximations a new path to consensus materials design principles (2021)
10. Mapping the Origins of Surface- and Chemistry-Dependent Doping Trends in III-V Quantum Dots with Density Functional Theory (2021)
11. Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions (2020)