HR job title
- Assistant Professor
- Contact Info
- Websites
- ORCiD
- 0000-0002-8680-6667
Tabor, Daniel Assistant Professor
Positions
- Assistant Professor, Chemistry, College of Arts and Sciences
Research Areas
- Overview
- Publications
- Research
- Teaching
- Background
- Contact
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Overview
Publications
selected publications
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academicarticle
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Li, C., & Tabor, D. P.
(2023).
Generative organic electronic molecular design informed by quantum chemistry. Chemical Science.
14(40), 11045-11055.
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Sibert, E., & Tabor, D. P.
A perturbative description of non-adiabatic effects in methoxy vibrations. Molecular Physics.
112(24), 3138-3143.
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Tabor, D. P., Roch, L. M., Saikin, S. K., Kreisbeck, C., Sheberla, D., Montoya, J. H., ... Aspuru-Guzik, A.
Accelerating the discovery of materials for clean energy in the era of smart automation. Nature Reviews Materials.
3(5), 5-20.
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Yang, Z., Tong, L., Tabor, D. P., Beh, E. S., Goulet, M., De Porcellinis, D., ... Aziz, M. J.
Alkaline Benzoquinone Aqueous Flow Battery for Large-Scale Storage of Electrical Energy. Advanced Energy Materials.
8(8),
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Kwabi, D. G., Lin, K., Ji, Y., Kerr, E. F., Goulet, M., De Porcellinis, D., ... Aziz, M. J.
Alkaline Quinone Flow Battery with Long Lifetime at pH 12. Joule.
2(9), 1894-1906.
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Kwabi, D. G., Lin, K., Ji, Y., Kerr, E. F., Goulet, M., De Porcellinis, D., ... Aziz, M. J.
Alkaline Quinone Flow Battery with Long Lifetime at pH 12 (vol 2, pg 1894, 2018). Joule.
2(9), 1907-1908.
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Tabor, D. P., Hewett, D. M., Bocklitz, S., Korn, J. A., Tomaine, A. J., Ghosh, A. K., Zwier, T. S., & Sibert, E. L.
Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene. Journal of Chemical Physics.
144(22), 224310.
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Tabor, D. P.
Approaching saturation limits. Nature Energy.
3(6), 455-456.
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Ma, T., Fox, E., Qi, M., Li, C., Sachithani, K., Mohanty, K., ... Lutkenhaus, J. L.
Charge Transfer in Spatially Defined Organic Radical Polymers. CHEMISTRY OF MATERIALS.
35(21), 9346-9351.
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Korn, J. A., Tabor, D. P., Sibert, E. L., & Zwier, T. S.
Conformation-specific spectroscopy of alkyl benzyl radicals: Effects of a radical center on the CH stretch infrared spectrum of an alkyl chain. Journal of Chemical Physics.
145(12), 124314.
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Goulet, M., Tong, L., Pollack, D. A., Tabor, D. P., Odom, S. A., Aspuru-Guzik, A., ... Aziz, M. J.
Correction to "Extending the Lifetime of Organic Flow Batteries via Redox State Management". Journal of the American Chemical Society.
143(34), 14019-14020.
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Chao, T., Rekhi, S., Mittal, J., & Tabor, D. P.
Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence. Molecular Systems Design and Engineering.
8(9), 1146-1155.
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Tabor, D. P., Chiykowski, V. A., Friederich, P., Cao, Y., Dvorak, D. J., Berlinguette, C. P., & Aspuru-Guzik, A.
Design rules for high mobility xanthene-based hole transport materials. Chemical Science.
10(36), 8360-8366.
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Perkinson, C. F., Tabor, D. P., Einzinger, M., Sheberla, D., Utzat, H., Lin, T., ... Baldo, M. A.
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach. Journal of Chemical Physics.
151(12), 121102.
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Li, C., & Tabor, D. P.
Discovery of lead low-potential radical candidates for organic radical polymer batteries with machine-learning-assisted virtual screening. Journal of Materials Chemistry A.
10(15), 8273-8282.
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Easley, A. D., Li, C., Li, S., Nguyen, T. P., Mick Kuo, K., Wooley, K. L., Tabor, D. P., & Lutkenhaus, J. L.
Electron transport kinetics for viologen-containing polypeptides with varying side group linker spacing. Journal of Materials Chemistry A.
12(46), 31871-31882.
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Sawaya, N., Rappoport, D., Tabor, D. P., & Aspuru-Guzik, A.
Excitonics: A Set of Gates for Molecular Exciton Processing and Signaling. ACS Nano.
12(7), 6410-6420.
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Goulet, M., Tong, L., Pollack, D. A., Tabor, D. P., Odom, S. A., Aspuru-Guzik, A., ... Aziz, M. J.
Extending the Lifetime of Organic Flow Batteries via Redox State Management. Journal of the American Chemical Society.
141(20), 8014-8019.
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Sibert, E. L., Tabor, D. P., Kidwell, N. M., Dean, J. C., & Zwier, T. S.
Fermi resonance effects in the vibrational spectroscopy of methyl and methoxy groups. Journal of Physical Chemistry A.
118(47), 11272-11281.
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Bakker, D. J., Dey, A., Tabor, D. P., Ong, Q., Mah, J., Gaigeot, M., Sibert, E. L., & Rijs, A. M.
Fingerprints of inter- and intramolecular hydrogen bonding in saligenin-water clusters revealed by mid- and far-infrared spectroscopy. Physical Chemistry, Chemical Physics - PCCP.
19(31), 20343-20356.
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Yang, Z., Tong, L., Tabor, D. P., Beh, E. S., Goulet, M., De Porcellinis, D., ... Aziz, M. J.
Flow Batteries: Alkaline Benzoquinone Aqueous Flow Battery for LargeScale Storage of Electrical Energy (Adv. Energy Mater. 8/2018). Advanced Energy Materials.
8(8),
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Li, C., & Tabor, D. P.
Generative organic electronic molecular design informed by quantum chemistry. Chemical Science.
14(40), 11045-11055.
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Tabor, D. P., Harding, M. E., Ichino, T., & Stanton, J. F.
High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals. Journal of Physical Chemistry A.
116(29), 7668-7676.
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Hewett, D. M., Bocklitz, S., Tabor, D. P., Sibert Iii, E. L., Suhm, M. A., & Zwier, T. S.
Identifying the first folded alkylbenzene via ultraviolet, infrared, and Raman spectroscopy of pentylbenzene through decylbenzene. Chemical Science.
8(8), 5305-5318.
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Lee, Y., Chou, W., Johnson, B. A., Tabor, D. P., Sibert, E., & Lee, Y.
Infrared absorption of CH3O and CD3O radicals isolated in solid para-H2. Journal of Molecular Spectroscopy.
310, 57-67.
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Franke, P. R., Tabor, D. P., Moradi, C. P., Douberly, G. E., Agarwal, J., Schaefer, H. F., & Sibert, E. L.
Infrared laser spectroscopy of the n-propyl and i-propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region. Journal of Chemical Physics.
145(22), 224304.
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Hewett, D. M., Tabor, D. P., Fischer, J. L., Sibert, E. L., & Zwier, T. S.
Infrared-Enhanced Fluorescence-Gain Spectroscopy: Conformation-Specific Excited-State Infrared Spectra of Alkylbenzenes. Journal of Physical Chemistry Letters.
8(21), 5296-5300.
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Wang, Q., Yao, Z., Zhao, C., Verhallen, T., Tabor, D. P., Liu, M., ... Li, B.
Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries. Nature Communications.
11(1), 4188.
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Tabor, D. P., Kusaka, R., Walsh, P. S., Sibert, E. L., & Zwier, T. S.
Isomer-Specific Spectroscopy of Benzene-(H2O)n, n = 6,7: Benzene's Role in Reshaping Water's Three-Dimensional Networks. Journal of Physical Chemistry Letters.
6(10), 1989-1995.
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Somodi, C. B., McCormick, K., Tabor, D. P., Pentzer, E., & Shamberger, P. J.
Kinetics of the plastic crystal transition in neopentyl glycol. Journal of Applied Physics.
135(14), 145101.
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Li, J., Peng, B., Li, S., Tabor, D. P., Fang, L., & Schroeder, C. M.
Ladder-type conjugated molecules as robust multi-state single-molecule switches. Chem.
9(8), 2282-2297.
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Tabor, D. P., Kusaka, R., Walsh, P. S., Zwier, T. S., & Sibert, E. L.
Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n = 2-7. Journal of Physical Chemistry A.
119(38), 9917-9930.
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Tabor, D. P., Gomez-Bombarelli, R., Tong, L., Gordon, R. G., Aziz, M. J., & Aspuru-Guzik, A.
Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries. Journal of Materials Chemistry A.
7(20), 12833-12841.
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Sibert, E. L., Tabor, D. P., & Lisy, J. M.
Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) Ions. Journal of Physical Chemistry A.
119(41), 10293-10299.
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Topg, L., Goulet, M., Tabor, D. P., Kerr, E. F., De Porcellinis, D., Fell, E. M., ... Aziz, M. J.
Molecular Engineering of an Alkaline Naphthoquinone Flow Battery. ACS Energy Letters.
4(8), 1880-1887.
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Tong, L., Goulet, M., Tabor, D. P., Kerr, E. F., Porcellinis, D. D., Fell, E. M., ... Aziz, M. J.
Molecular Engineering of an Alkaline Naphthoquinone Flow Battery
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Lee, J., Li, S., Ji, X., Che, S., Cao, Y., Tabor, D. P., & Fang, L.
Molecular mechanism of rigidity- and planarity-promoted, state-dependent doping of conjugated ladder-type molecules. Materials Chemistry Frontiers.
6(22), 3329-3337.
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Sawaya, N., Paesani, F., & Tabor, D. P.
Near- and long-term quantum algorithmic approaches for vibrational spectroscopy. Physical Review A (PRA).
104(6), 062419.
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Neisser, R. W., Davis, J. P., Alfieri, M. E., Harkins, H., Petit, A. S., Tabor, D. P., & Kidwell, N. M.
Photophysical Outcomes of Water-Solvated Heterocycles: Single-Conformation Ultraviolet and Infrared Spectroscopy of Microsolvated 2-Phenylpyrrole. Journal of Physical Chemistry A.
127(50), 10540-10554.
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Chiykowski, V. A., Cao, Y., Tan, H., Tabor, D. P., Sargent, E. H., Aspuru-Guzik, A., & Berlinguette, C. P.
Precise Control of Thermal and Redox Properties of Organic Hole-Transport Materials. Angewandte Chemie International Edition.
57(47), 15529-15533.
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Chiykowski, V. A., Cao, Y., Tan, H., Tabor, D. P., Sargent, E. H., AspuruGuzik, A., & Berlinguette, C. P.
Precise Control of Thermal and Redox Properties of Organic HoleTransport Materials. Angewandte Chemie.
130(47), 15755-15759.
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Davydov, A. V., & Kattner, U. R.
Predicting synthesizability. Journal of Physics D: Applied Physics.
52(1), 013001-013001.
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Li, C., & Tabor, D. P.
Reorganization Energy Predictions with Graph Neural Networks Informed by Low-Cost Conformers. Journal of Physical Chemistry A.
127(15), 3484-3489.
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Ma, G., Leng, M., Li, S., Cao, Z., Cao, Y., Tabor, D. P., Fang, L., & Gu, X.
Robust chain aggregation of low-entropy rigid ladder polymers in solution. Journal of Materials Chemistry C.
10(37), 13896-13904.
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Peterson, B. N., Alfieri, M. E., Hood, D. J., Hettwer, C. D., Costantino, D. V., Tabor, D. P., & Kidwell, N. M.
Solvent-Mediated Charge Transfer Dynamics of a Model Brown Carbon Aerosol Chromophore: Photophysics of 1-Phenylpyrrole Induced by Water Solvation. Journal of Physical Chemistry A.
126(27), 4313-4325.
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Goulet, M., Pollack, D., Tong, L., Tabor, D. P., Aspuru-Guzik, A., Gordon, R. G., & Aziz, M. J.
Stability of Organic Reactants for Aqueous Flow Batteries. ECS Meeting Abstracts.
MA2018-02(2), 126-126.
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Alessandri, R., Li, C., Keating, S., Mohanty, K. T., Peng, A., Lutkenhaus, J. L., ... de Pablo, J. J.
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries. JACS Au.
4(6), 2300-2311.
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Ma, T., Li, C., Thakur, R. M., Tabor, D. P., & Lutkenhaus, J. L.
The role of the electrolyte in non-conjugated radical polymers for metal-free aqueous energy storage electrodes. Nature Materials.
22(4), 495-502.
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Tabor, D. P., Gomez-Bombarelli, R., Tong, L., Gordon, R. G., Aziz, M. J., & Aspuru-Guzik, A.
Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries
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Shuber, N. J., Tabor, D. P., & North, S. W.
Theoretical investigation of the ground state dissociation pathways of CH2NO2. Chemical Physics.
568, 111823-111823.
-
Li, C., & Tabor, D. P.
(2023).
Generative organic electronic molecular design informed by quantum chemistry. Chemical Science.
14(40), 11045-11055.
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conference paper
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Tabor, D.
(2019).
Active search for organic functional materials with artificial intelligence. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Tabor, D., Outeiral, C., Sanchez-Lengeling, B., & Aspuru-Guzik, A.
(2018).
Coupling generative models to virtual screening: Application to organic redox flow batteries. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Tabor, D., Hase, F., Roch, L., & Aspuru-Guzik, A.
(2018).
Discovery of organic flow battery electrolytes via a machine learning driven approach. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Walsh, P., Tabor, D., Kusaka, R., Buchanan, E., Gord, J., Sibert, E., & Zwier, T.
(2018).
Water world: Understanding water's diverse interactions with solutes through single-conformation spectroscopy. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Tabor, D., Kusaka, R., Walsh, P., Sibert, E., & Zwier, T.
(2016).
Attaching water clusters to aromatic solutes: Spectroscopic signatures of large amplitude motions and Fermi resonance in the OH stretch region. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Sibert, E., Tabor, D., Korn, J., Hewett, D., & Zwier, T.
(2016).
Using vibrational spectra to probe structure and local environment. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Sibert, E., Tabor, D., Kidwell, N., Dean, J., & Zwier, T.
Alkyl CH stretch vibrations as a probe local environment. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
1-1.
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Sawaya, N. P., Marti-Dafcik, D., Ho, Y., Tabor, D. P., Neira, D., Magann, A. B., ... Camps, D.
HamLib: A Library of Hamiltonians for Benchmarking Quantum Algorithms and Hardware. 389-390.
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Chappie, E., Kidwell, N., & Tabor, D.
MOLECULAR FRAGMENT MACHINE LEARNING TRAINING TECHNIQUES TO PREDICT CLUSTER ENERGETICS AND FREQUENCIES IN BROWN CARBON AEROSOL CLUSTERS. 1-1.
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Tabor, D., Kidwell, N., & Annis, J.
STRUCTURE AND INFRARED SPECTRA OF NEW AEROSOL PARTICLE FORMATION SEED CLUSTERS. 1-1.
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Tabor, D., & Kidwell, N.
STRUCTURE AND INFRARED SPECTRA OF NEW AEROSOL PARTICLE FORMATION SEED CLUSTERS. 1-1.
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Tabor, D., Kusaka, R., Walsh, P., Sibert, E., & Zwier, T.
Vibrational spectroscopy of benzene-(water)n clusters with n=3-7. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
1-1.
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Tabor, D.
(2019).
Active search for organic functional materials with artificial intelligence. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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institutional repository document
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Li, C., & Tabor, D.
Accelerating Organic Electronic Materials Design with Low-Cost, Robust Molecular Reorganization Energy Predictions
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Chao, T., Rekhi, S., Mittal, J., & Tabor, D. P.
Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence
-
Li, C., & Tabor, D.
Discovery of lead low-potential radical candidates for organic radical polymer batteries with machine-learning-assisted virtual screening
-
Sawaya, N., Rappoport, D., Tabor, D., & Aspuru-Guzik, A.
Excitonics: A universal set of binary gates for molecular exciton processing and signaling
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Li, C., & Tabor, D. P.
Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Energy Levels
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Li, C., & Tabor, D. P.
Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Levels
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Sawaya, N. P., Marti-Dafcik, D., Ho, Y., Tabor, D. P., Neira, D., Magann, A. B., ... Camps, D.
HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware
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Tong, L., Goulet, M., Tabor, D. P., Kerr, E. F., Porcellinis, D. D., Fell, E. M., ... Aziz, M. J.
Molecular Engineering of an Alkaline Naphthoquinone Flow Battery
-
Sawaya, N., Paesani, F., & Tabor, D. P.
Near- and long-term quantum algorithmic approaches for vibrational spectroscopy
-
Peterson, B., Alfieri, M., Hood, D., Hettwer, C., Costantino, D., Tabor, D., & Kidwell, N.
Solvent-Mediated Charge Transfer Dynamics of a Model Brown Carbon Aerosol Chromophore: Photophysics of 1-Phenylpyrrole Induced by Water Solvation
-
Alessandri, R., Li, C., Keating, S., Mohanty, K. T., Peng, A., Lutkenhaus, J. L., ... de Pablo, J. J.
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries
-
Tabor, D., Gmez-Bombarelli, R., Tong, L., Gordon, R. G., Aziz, M. J., & Aspuru-Guzik, A.
Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries
-
Tabor, D. P., Gomez-Bombarelli, R., Tong, L., Gordon, R. G., Aziz, M. J., & Aspuru-Guzik, A.
Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries
-
Li, C., & Tabor, D.
Accelerating Organic Electronic Materials Design with Low-Cost, Robust Molecular Reorganization Energy Predictions
Research
principal investigator on
- Accelerating the Prediction and Analysis of Vibrational and Electronic Spectroscopy awarded by Welch Foundation - (Houston, Texas, United States) 2023 - 2026
- A-2049-20200401 Mapping the Structure and Formation of Aerosols Through Theoretical Spectroscopy and Multiscale Simulation awarded by Welch Foundation - (Houston, Texas, United States) 2020 - 2023
co-principal investigator on
Teaching
teaching activities
- CHEM119 Hnr-fund Of Chemistry I Instructor
- CHEM291 Research Instructor
- CHEM491 Research Instructor
- CHEM491 Research Instructor
- CHEM648 Prin Of Quantum Mech Instructor
- CHEM690 Theory Of Chem Resrch Instructor
- CHEM691 Research Instructor
Background
education and training
- Ph.D. in Chemistry, University of Wisconsin - Madison - (Madison, Wisconsin, United States) 2016
- B.S. in Chemistry, The University of Texas at Austin - (Austin, Texas, United States) 2011
- Harvard University - (Cambridge, Massachusetts, United States) , Postdoctoral Training 2019
awards and honors
Contact
first name
- Daniel
has last name
- Tabor
Other
In the News
- daniel_tabor@tamu.edu