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Brandon Wood

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Brandon Wood, Ph.D.
Postdoctoral Researcher
NESAP for Learning

Biographical Sketch

Brandon specializes in computational chemistry and is a NESAP for Learning Postdoctoral Fellow at NERSC. His current research involves developing, tuning, and scaling deep learning models for catalyst discovery in collaboration with Zachary Ulissi’s Group at Carnegie Mellon University. In general, Brandon’s research interests lie at the intersection of computational chemistry, machine/deep learning, and high performance computing. 

Prior to joining NERSC, Brandon received his Ph.D. in Applied Science and Technology — Applied Physics — from UC Berkeley (2019). His doctoral research, under the direction of Kristin Persson, focused on the physics of conducting polymers with the goal of enhanced materials design and high-throughput quantum calculations.

For more information and a complete CV please see his personal website.

Journal Articles


Wood, B.M.; Forse, A.C.; Persson, K.A.; Aromaticity as a Guide to Planarity in Conjugated Molecules and Polymers. J. Phys. Chem. C. 2020. 124, 10, 5608-5612, DOI: 10.1021/acs.jpcc.0c01064


He, C.; Christensen, P.R.; Seguin, T.J.; Dailing, E.A.; Wood, B.M.; Walde, R.K.; Persson, K.A.; Russell, T.P.; Helms, B.A. Conformational Entropy as a Means to Control the Behavior of Poly (diketoenamine) Vitrimers In and Out of Equilibrium. Angew. Chem. Int. Ed. 2020, 59, 2, 735-739, DOI: 10.1002/anie.201912223


Fong, K.D.; Self, J.; Diederichsen, K.M.; Wood, B.M.; McCloskey, B.D.; Persson, K.A. Ion Transport and the True Transference Number in Nonaqueous Polyelectrolyte Solutions for Lithium-Ion Batteries. ACS Cent. Sci. 2019, 5, 1250-1260, DOI: 10.1021/acscentsci.9b00406


Rajput, N.N.; Seguin, T.J.; Wood, B.M.; Qu, X.; Persson, K.A. Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes - A Review. Top. Curr. Chem. 2018, 376, 19, DOI: 10.1007/s41061-018-0195-2


Self, J.; Wood, B.M.; Rajput, N.N.; Persson K.A. The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF6 and LiAsF6 in Dimethyl Carbonate. J. Phys. Chem. C 2018, 122 (4), 1990–1994, DOI: 10.1021/acs.jpcc.7b11060


Mathew, K.; Montoya, J.H.; Faghaninia, A.; Dwarakanath, S.; Aykol, M.; Tang, H.; Chu, I.; Smidt, T.; Bocklund, B.; Horton, M.; Dagdelen, J.; Wood, B.; Liu, Z.; Neaton, J.; Ong, S.P.; Persson, K.; Jain, A. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Comput. Mater. Sci. 2017, 139, 140-152, DOI: 10.1016/j.commatsci.2017.07.030