Faculty Accomplishments

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Maria Alexandra Gomez was a Co-PI on National Science Foundation (NSF) project: MRI: Expansion of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY) via Addition of High Performance Computers awarded to Furman University. The project is for three years. 

National Science Foundation

Gomez, M. A., Brooks-Randall, S., Cai, G., Glass-Klaiber, J., Jiang, Y., Jo, S., Lin, Z., Lin, S., Marcellus, M., Nguyen, H. A., Pham, T., Wang, Y., Zhai, F., Gya, P., Khan, S. (2021). Graph analysis of proton conduction pathways in scandium-doped barium zirconate. The Journal of Chemical Physics, 154(7), 074711. doi:10.1063/5.0039103

Patel, M., Zhong, J., Gomez-Haibach, K. S., Gomez, M. A., & King, G. (2020). Low-energy Sr2MSbO5.5(M = Ca and Sr) structures show significant distortions near oxygen vacancies. International Journal of Quantum Chemistry. doi:10.1002/qua.26356

Torayev, A., Sperrin, L., Gomez, M. A., Kattirtzi, J. A., Merlet, C., & Grey, C. P. (2020). Local Distortions and Dynamics in Hydrated Y-Doped BaZrO3. J Phys Chem C Nanomater Interfaces, 124(30), 16689-16701. doi:10.1021/acs.jpcc.0c04594

Du, P., Chen, Q., Fan, Z., Pan, H., Haibach, F. G., Gomez, M. A., & Braun, A. (2020). Cooperative origin of proton pair diffusivity in yttrium substituted barium zirconate. Communications Physics, 3(1). doi:10.1038/s42005-020-00464-5

Lin, Z., Lin, S., Tian, Y., Van Bokkelen, A., Valerio, M., & Gomez, M. A. (2020). Oxygen Vacancies Altering the Trapping in the Proton Conduction Landscape of Doped Barium Zirconate. The Journal of Physical Chemistry C, 124(51), 27954-27964. doi:10.1021/acs.jpcc.0c09461