Maria A Gomez


Department of Chemistry

Mount Holyoke College


Research in our research group covers a wide range of ideas from:  thermodynamics, statistical mechanics, classical mechanics, and quantum mechanics.  Our research also entails using and developing mathematical ideas within physical contexts. 


(*undergraduate co-authors)

M. A. Gomez, G. Kwan*, W. Zhu*,M. Chelliah*, X. Zuo*, A. Eshun*,V. Blackmer*, T. Huynh*, and M. Huynh*, "Ordered yttrium concentration effects on barium zirconate structure, proton binding sites, and transition states" Solid State ionics 304, 126-134 (2017).

M. A. Gomez, D. L. Fry*, M. E. Sweet*, “Effects on the proton conduction limiting barriers and trajectories in BaZr0.875Y0.125O3 due to the presence of other protons,” J. of Korean Ceramic Soc. 53, 521 (2016).

R. A. Krueger*, F. G. Haibach, D. L. Fry*, and M. A. Gomez, “Centrality measures highlight proton traps and access points to proton highways in kinetic Monte Carlo trajectories,”  J. Chem. Phys. 142, 154110 (2015).

M. A. Gomez and F. Liu*, “Protons in Al doped BaZrO3 escape dopant traps to access long range proton conduction highways,”  Solid State Ionics. 252, 40 (2013).

M. A. Gomez, D. Shepardson, L. T. Nguyen*, T. Kehinde*, “Periodic long range proton conduction pathways in pseudo-cubic and orthorhombic perovskites,” Solid State Ionics. 213, 8 (2012).

M. A. Gomez, M. Chunduru*,L. Chigweshe*, K. M. Fletcher*, “The effect of Al an Y dopant on the proton conduction pathways of SrZrO3, an orthorhombic perovskite,” J. Chem. Phys. 133, 064701 (2010).

M. A. Gomez, M. Chunduru*,L. Chigweshe*, L. S. Foster*, S. J. Fensin*, K. M. Fletcher*, and L. F. Fernandez*, “The effect of yttrium dopant on the proton conduction pathways of BaZrO3, a cubic perovskite,” J. Chem. Phys. 132, 214709 (2010).

F. G. Haibach, M. A. Gomez, E. Fitzgerald, K. E. Paczkowski*, “NIR imaging of paintings:  Looking for deeper meaning,” Chemical Educator, 12, 349 (2007).

M. A. Gomez, Saryu Jindal*, Katharyn M. Fletcher*, Leigh S. Foster*, Nanna Dufie A Addo*, Debbie Valentin*, Cristina Ghenoiu*, and Abigail Hamilton*, “A comparison of proton conduction in KTaO3 and SrZrO3,” J. Chem. Phys. 126, 194701 (2007).

M. A. Gomez, L. R. Pratt, J. D. Kress, and D. Asthagiri, “Water adsorption and dissociation on BeO (001) and (100) surfaces,” Surface Science, 601, 1608 (2007).

M. A. Gomez, and P. Peart*, “Including quantum subsystem character within classical equilibrium simulations,” J. Chem. Phys. 125, 034105 (2006).

M. A. Gomez, M. A. Griffin*, S. Jindal*, K. D. Rule*, and V. Cooper*, “The effect of octahedral tilting on proton binding sites and transition states in pseudo-cubic perovskite oxides,” J. Chem. Phys 123, 094703 (2005).

P. Grabowski*, D. Riccardi*, M. A. Gomez, D. Asthagiri, and L. R. Pratt, “Quasi-chemical theory and the standard free energy of H+ (aq),” J. Phys. Chem. A. 106, 9145 (2002).

L. R. Pratt, R. A. LaViolette, M. A. Gomez, and M. E. Gentile*, “Quasi-chemical Theory for the Statistical Thermodynamics of the Hard Sphere Fluid.” J. Phys. Chem. B. 105, 11662 (2001).



Research opportunities for Undergraduates

Before you join our research group, you need to take Chemistry/Physics 328. The next offering is Fall 2019. The pre-requisites are calculus II and one chemistry or physics class. In addition to signing up for the class, you should also send me an email expressing your interest in joining our group at the end of the class and confirm it near the end of the class so we can begin to choose your individual project. After the class, you can sign up for research in 2 credit intervals. Each two credits represents a full afternoon of computer and/or paper and pencil work plus time outside of that for writing midterm and final papers. Summer opportunities require at least one independent study semester starting on your project after Chemistry/Physics 328.


National Science Foundation – DMR (2017–2020)
Maria A. Gomez

”RUI: Using graph theory measures to probe oxygen vacancy and proton conduction in perovskites and double perovskites”  Award Number: DMR-1709975.

National Science Foundation – MRI (2016–2019)
George Shields, Maria A. Gomez, Carol Parish, and Marc Zimmer

”Acquisition of a High Performance Computer for the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY)”  Award Number: CHE-1626238.