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).


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.



Research opportunities for Undergraduates

If you would like to apply to join our research group, email me indicating your interest and include an attachment which answers the questions below.

1. Why are you interested in doing research with our group?

2. What do you think we do?  Pick just one project (from one of our papers) and describe it in your own words.

3. What are your goals after you graduate from Mount Holyoke College? 

4. How does doing research in our group advance your goals?

5. What is your academic background?  List all the mathematics, physics, chemistry, and computer science courses you have had in college and your experience and comfort in them. Note that a minimum of the equivalent of calculus II is needed before starting in our research group.

6. Is there something else in your experience that has prepared you or motivates you to do research in our group?

7. Make sure that you can commit yourself to a 4 credit independent study the first semester and subsequent 2-4 credit independent studies.  Each two credits represents a full afternoon of computer and/or paper and pencil work plus time outside of that for writing. Summer opportunities for research require at least one independent study semester.  After a summer of research at Mount Holyoke, students are encouraged and assisted in finding a complementary research experience outside of Mount Holyoke to round out their experience.  To show your understanding, outline the commitment and logistics involved in doing research with our group.

During semesters when I am offering Chemistry/Physics 328, that elective will serve as the training semester.