Dr. Rowberg is a staff scientist in the Quantum Simulations Group specializing in first-principles calculations of point defects in materials. He uses these simulation tools to study the properties of oxides, nitrides, hydrides, and mixed anionic compounds with diverse properties such as ferroelectricity, photochromism, and high ionic conductivity. Working with experimental collaborators, he investigates applications for these materials in (opto)electronic devices, neuromorphic computing, and solid oxide cells, among other uses.

He has played a leading role in LLNL’s simulation efforts in multi-Lab consortia focused on hydrogen storage (HyMARC) and production via electrolysis and thermochemical routes (H2NEW, HydroGEN), through which he collaborates closely with experts on experimental design, multiscale modeling, and high-throughput materials discovery. He is particularly focused on the factors leading to degraded performance in these systems, such as impurity incorporation, electrical leakage in ionic conductors, and secondary phase formation.

Dr. Rowberg has co-authored 40 peer-reviewed journal articles and contributed to two book chapters. He has presented at more than 20 international research conferences, including four invited talks. He is also currently a representative of the Materials Science Division on the PLS Workforce & Communications Committee.

PhD, Materials Science, UC Santa Barbara, 2021

BS, Materials Science & Engineering, Northwestern Unversity, 2015

BS, Applied Mathematics, Northwestern Unversity, 2015

For a full list, see: Google Scholar | Web of Science | ORCID

Selected publications:

A. J. E. Rowberg, S. Kang, K. Sellschopp, P. Jerabek, T. W. Heo, B. C. Wood. Role of elemental substitution on hydrogen incorporation in characteristic Ti/Fe-based oxides, ACS Appl. Energy Mater. 9, 1242-1253 (2026).

T. C. Douglas, M. J. Dzara, A. J. E. Rowberg, K. A. King, M. Syrigou, N. A. Strange, R. T. Bell, A. Goyal, P.-W. Guan, R. B. Wexler, J. B. Varley, T. Ogitsu, S. Lany, A. H. McDaniel, S. R. Bishop, M. D. Witman. Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks, Mater. Horiz. 13, 829-839 (2026).

A. J. E. Rowberg, M. Van Winkle, H. S. Slomski, S. Chatterjee, N. J. Kane, H. Yu, N. Kim, D. S. Ginley, B. P. Gorman, S. Shulda, K. E. Kweon, B. C. Wood. Kinetics and thermodynamics of Sr permeation in CeO₂-based barrier layers for solid-oxide electrolyzer cells, ACS Appl. Mater. Interfaces 17, 54761-54773 (2025).

Y. Cho, A. J. E. Rowberg, S. Chatterjee, A. Jamal, S.  Kang, Tae Wook Heo, B. C. Wood, E. S. Cho. Chemical redox agent-driven noncorrosive formation of nanoporous Mg structures for advanced hydrogen storage, ACS Nano 19, 5649-5658 (2025).

A. J. E. Rowberg, C. G. Van de Walle. Defect properties, anion ordering, and photochromic mechanism in yttrium oxyhydride, J. Phys. Chem. C 128, 20387-20395 (2024).

A. Biswas∗, A. J. E. Rowberg∗, P. Yadav, K. Moon, G. J. Blanchard, K. E. Kweon, S. Kim. Ag intercalation in layered Cs₃Bi₂Br₉ perovskite for enhanced light emission with bound interlayer excitons, J. Am. Chem. Soc. 146, 19919-19928 (2024). [∗: equal contribution]

A. J. E. Rowberg, H. S. Slomski, N. Kim, N. A. Strange, B. P. Gorman, S. Shulda, D. S. Ginley, K. E. Kweon, B. C. Wood. Impact of Sr-containing secondary phases on oxide conductivity in solid-oxide electrolyzer cells, Chem. Mater. 36, 6464-6474 (2024).

A. J. E. Rowberg, S. Mu, M. W. Swift, C. G. Van de Walle. Structural, electronic, and polarization properties of YN and LaN, Phys. Rev. Mater. 5, 094602 (2021).

S. Mu, A. J. E. Rowberg, J. Leveillee, F. Giustino, C. G. Van de Walle. First-principles study of electron transport in ScN, Phys. Rev. B 104, 075118 (2021).

J. L. White, A. J. E. Rowberg, L. F. Wan, S. Kang, T. Ogitsu, R. D. Kolasinski, J. A. Whaley, A. A. Baker, J. R. I. Lee, Y.-S. Liu, L. Trotochaud, J. Guo, V. Stavila, D. Prendergast, H. Bluhm, M. D. Allendorf, B. C. Wood, F. El Gabaly. Identifying the role of dynamic surface hydroxides in the dehydrogenation of Ti-doped NaAlH₄, ACS Appl. Mater. Interfaces 11, 4930-4941 (2019).

2025 Invited Speaker, APS March Meeting

2024 Visiting Researcher Grant, Helmholtz Information & Data Science Academy

2024 Outstanding Postdoctoral Research Awardee, US DOE Hydrogen and Fuel Cell Technologies Office

2020 UC President’s Lindau Nobel Laureate Meetings Fellow

2020 Invited Speaker, APS March Meeting

2016 National Science Foundation Graduate Research Fellowship, UC Santa Barbara

2015 Fulbright Student Fellowship

Member of the American Physical Society, American Chemical Society, Electrochemical Society, and Tau Beta Pi Engineering Honor Society. Also a Silver Life Master of the American Contract Bridge League.