Daniel Tabor


Daniel Tabor

Postdoctoral Researcher

Department of Chemistry and Chemical Biology

Harvard University

Office: CV-026

Telephone: (617) 495-3945

E-mail: daniel_tabor (at) fas (dot) harvard (dot) edu

Address: 12 Oxford Street, Mailbox 2, Cambridge, MA 02138

Ph.D. Chemistry, University of Wisconsin–Madison, 2016

B.S. Chemistry, University of Texas–Austin, 2011

Research Interests
  • High-Throughput Virtual Screening
  • Machine Learning
  • Materials for Flow Battery Electrolytes
  • Dye-Sensitized Solar Cells
  • Topological Insulators

  1. V. Chiykowski, Y. Cao, H. Tan, D.P. Tabor, E.H. Sargent, A. Aspuru-Guzik, and C.P. Berlinguette,  Precise Control of Thermal and Redox Properties of Organic Hole-Transport Materials, Angew. Chem. in press (2018).
  2. K. Alberi, M. Buongiorno Nardelli, A. Zakutayev, L. Mitas, S. Curtarolo, A. Jain, M. Fornari, N. Marzari, I. Takeuchi, M. Green, M. Kanatzidis, M. Toney, S. Butenko, B. Meredig, S. Lany, U. Kattner, A. Davydov, E. Toberer, V. Stevanovic, A. Walsh, N.G. Park, A. Aspuru-Guzik, D.P. Tabor, J. Nelson, J. Murphy, A. Setlur, J. Gregoire, H. Li, R. Xiao, A. Ludwig, L. Martin, A. Rappe, S.-H. Wei, and J. Perkins The 2018 Materials by Design Roadmap , J. Phys. D: Appl. Phys. in press (2018).
  3. D.P. Tabor, R. Gómez-Bombarelli, L. Tong, R.G. Gordon, M.J. Aziz, and A. Aspuru-Guzik, Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries, ChemRxiv preprint.
  4. D.G. Kwabi, K. Lin, Y. Ji, E.F. Kerr, M.-A. Goulet, D. De Porcellinis, D.P. Tabor, D.A. Pollack, A. Aspuru-Guzik, R.G. Gordon, and M.J. Aziz, Alkaline Quinone Flow Battery with Long Lifetime at pH 12, Joule 2 1894-1906 (2018).
  5. D.P. Tabor Approaching Saturation Limits, Nat. Energy 3, 455-456 (2018).
  6. D.P. Tabor, L.M. Roch, S.K. Saikin, C. Kreisbeck, D. Sherberla, J.H. Montoya, S. Dwaraknath, M. Aykol, C. Ortiz, H. Tribukait, C. Amador-Bedolla, C.J. Brabec, B. Maruyama, K.A. Persson, and A. Aspuru-Guzik, Accelerating Discovery of Materials for Clean Energy in the Era of Smart Automation, Nat. Rev. Mater. 3, 5-20 (2018).
  7. Z. Yang, L. Tong, D.P. Tabor, E.S. Beh, M.-A. Goulet, D. De Porcellinis, A. Aspuru-Guzik, R.G. Gordon, and M.J. Aziz, Alkaline Benzoquinone Aqueous Flow Battery for Large-Scale Storage of Electrical Energy, Adv. Energy Mater. 8, 1702056 (2018).
  8. N.P.D. Sawaya, D. Rappoport, D.P. Tabor, and A. Aspuru-Guzik, Excitonics: A Set of Gates for Molecular Exciton Processing and Signaling, ACS Nano 12, 6410-6420 (2018). Preprint
  9. D.M. Hewett, D.P. Tabor, J.L. Fischer, E.L. Sibert III, and T.S. Zwier, IR-induced Fluorescence-Gain Spectroscopy: Conformation-Specific Excited State Infrared Spectra of the Alkylbenzenes, J. Phys. Chem. Lett. 8, 5296-5300 (2017).
  10. D.M. Hewett, S. Bocklitz, D.P. Tabor, E.L. Sibert III, M. Suhm, T.S. Zwier, Identifying the First Folded Alkylbenzene: Ultraviolet, Infrared, and Raman Spectroscopy of Pentylbenzene through Decylbenzene, Chem. Sci. 8, 5305 (2017).
  11. D.J. Bakker, A. Dey, D.P. Tabor, Q. Ong, J. Mah‌é, M.-P. Gaigeot, E.L. Sibert III, A.M. Rijs, Fingerprints of Inter- and Intramolecular Hydrogen Bonding in Saligenin-Water Clusters Uncovered by Mid- and Far-Infrared Spectroscopy, Phys. Chem. Chem. Phys. 19, 20343-20356 (2017). DOI: 10.1039/C7CP01951C
  12. P.R. Franke, D.P. Tabor, C.P. Moradi, G.E. Douberly, J. Agarwal, H.F. Schaefer III, and E.L. Sibert III, Infrared Laser Spectroscopy of the n-Propyl and i-Propyl Radicals: Stretch-Bend Fermi Coupling in the Alkyl CH Stretch Region, J. Chem. Phys. 145, 224304 (2016).
  13. J.A. Korn, D.P. Tabor, E.L. Sibert III, and T.S. Zwier,  Conformation-Specific Spectroscopy of Alkyl Benzyl Radicals: Effects of a Radical Center on the CH Stretch Infrared Spectrum of an Alkyl Chain, J. Chem. Phys. 145, 124314 (2016).
  14. D.P. Tabor, D.M. Hewett, S. Bocklitz, J.A. Korn, A.J. Tomaine, A.K. Ghosh, T.S. Zwier and E.L. Sibert III,  Anharmonic Modeling of the Conformation-Specific IR Spectra of Ethyl, n-Propyl, and n-Butylbenzene, J. Chem. Phys. 144, 224310 (2016).
  15. E.L. Sibert III, D.P. Tabor, and J.M. Lisy,  Modeling The CH Stretch Vibrational Spectroscopy of M+[Cyclohexane] (M=Li, Na, and K) Ions, J. Phys. Chem. A 119, 10293-10299 (2015).
  16. D.P. Tabor, R. Kusaka, P.S. Walsh, T.S. Zwier, and E.L. Sibert III, Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n=2-7, J. Phys. Chem. A 119, 9917-9930 (2015).
  17. D.P. Tabor, R. Kusaka, P.S. Walsh, E.L. Sibert III, and T.S. Zwier, Isomer-Specific Spectroscopy of Benzene-(H2O)n, n=6,7: Benzene’s Role in Re-Shaping Water’s Three-Dimensional Networks, J. Phys. Chem. Lett. 6, 1989-1995 (2015).
  18. Y.-F. Lee, W.-T. Chou, B.A. Johnson, D.P. Tabor, E.L. Sibert III, and Y.-P. Lee, Infrared Absorption of CH3O and CD3O Radicals Isolated in Solid Para-H2, J. Mol. Spectrosc. 310, 57-67 (2015).
  19. E.L. Sibert III, D.P. Tabor, N.M. Kidwell, J.C. Dean, and T.S. Zwier, Fermi Resonance Effects in the Vibrational Spectroscopy of Methyl and Methoxy Groups, J. Phys. Chem. A 118, 11272-11281 (2014).
  20. E.L. Sibert III and D.P. Tabor, A Perturbative Description of Non-Adiabatic Effects in Methoxy Vibrations, Mol. Phys. 112, 3138-3143 (2014).
  21. D.P. Tabor, M.E. Harding, T. Ichino, and J.F. Stanton, High Accuracy Extrapolated Ab Initio Thermochemistry of the Vinyl, Allyl, and Vinoxy Radicals, J. Phys. Chem. A 116, 7668-7676 (2012).