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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 large-scale 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.

Journal Articles

Spotte-Smith, E.W.; Blau, S.M.; Xie, X.; Patel, H.D.; Wen, M.; Wood, B.; Dwaraknath, S.; Persson, K.A.; Quantum chemical calculations of lithium-ion battery electrolyte and interphase species. Sci Data. 2021, 8, 203 DOI: 10.1038/s41597-021-00986-9

Chanussot, L.; Das, A.; Goyal, S.; Lavril, T.; Shuaibi, M.; Rivière, M.; Tran, K.; Heras-Domingo, J.; Ho, C.; Hu, W.; Palizhati, A.; Sriram, A.; Wood, B.; Yoon, J.; Parikh, D.; Zitnick, C.L.; Ulissi, Z.; The Open Catalyst 2020 (OC20) Dataset and Community Challenges. ACS Catalysis. 2021, 11, 10, 6059-6072 DOI: 10.1021/acscatal.0c04525

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