Daniel P. Tabor

Mitchell Institute — United States

Materials Science · Physical Sciences

24h-index3.7kcitations96works2.32yr avg
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Research Topics

Machine Learning in Materials Science(16), Advanced battery technologies research(15), Electrocatalysts for Energy Conversion(12), Spectroscopy and Quantum Chemical Studies(11), Advanced Chemical Physics Studies(10)

Publications96 total

Synthesis and Persistence Length Study of Defect-Free and Non-Aggregated Conjugated Ladder Polymers
JACS Au·2025Open Access
Selective Deuteration of Neopentyl Glycol and its Effect on the Plastic Crystal Transformation
2025Open Access
Vibrational Couplings in the NO Stretch Region in Diiron Trinitrosyl Complexes
2025Open Access
Synthesis and Conformation of Defect-Free, Strained, and Non-Aggregated Conjugated Ladder Polymers
2025Open Access
Low-Data Machine Learning Models for Predicting Thermodynamic Properties of Solid-Solid Phase Transformations in Plastic Crystals
2025Open Access
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential
Journal of Chemical Theory and Computation·2025· 2 cited
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential
2025Open Access
Low-data machine learning models for predicting thermodynamic properties of solid–solid phase transformations in plastic crystals
Soft Matter·2025Open Access
HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware
Quantum·2024· 12 citedOpen Access
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries
JACS Au·2024· 3 citedOpen Access
Kinetics of the plastic crystal transition in neopentyl glycol
Journal of Applied Physics·2024· 8 citedOpen Access
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries
2024Open Access
Electron transport kinetics for viologen-containing polypeptides with varying side group linker spacing
Journal of Materials Chemistry A·2024· 5 citedOpen Access
Photophysical Outcomes of Water-Solvated Heterocycles: Single-Conformation Ultraviolet and Infrared Spectroscopy of Microsolvated 2-Phenylpyrrole
The Journal of Physical Chemistry A·2023· 1 cited
Charge Transfer in Spatially Defined Organic Radical Polymers
Chemistry of Materials·2023· 9 citedOpen Access
HamLib: A Library of Hamiltonians for Benchmarking Quantum Algorithms and Hardware
2023· 9 citedOpen Access
Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Levels
2023· 1 citedOpen Access
Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Energy Levels
2023Open Access
LEARNING MOLECULAR HAMILTONIANS DIRECTLY FROM SPECTRA
2023Open Access
HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware
arXiv (Cornell University)·2023· 3 citedOpen Access
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Frequent Co-authors

Alán Aspuru‐Guzik(19), Edwin L. Sibert(11), Roy G. Gordon(10), Michael J. Aziz(10), Liuchuan Tong(8), Marc‐Antoni Goulet(7), Cheng-Han Li(7), Timothy S. Zwier(7), Diana De Porcellinis(6), Nicolas P. D. Sawaya(6), Emily F. Kerr(4), Jodie L. Lutkenhaus(4), Daniel A. Pollack(3), Rafael Gómez‐Bombarelli(3), Valerie A. Chiykowski(3), Yang Cao(3), Curtis P. Berlinguette(3), Daniel Hewett(3), Daniel Marti-Dafcik(3), Yang Ho(3)