Recent Publications

The CoDe MaTE Lab has published their work in a variety of high-impact peer-review journals such as Science, Chemistry of Materials, Journal of the American Chemical SocietyJournal of Chemical Theory and Computation, Journal of Physical Chemistry, among others. For a full list of publications by CoDe MaTE Lab director, Prof. Gomez-Gualdron (50+ articles, 3,000+ citations, h-index = 27), visit his Google Scholar Profile:    


Vacancy Healing as a Desorption Tool: Oxygen Triggered Removal of Stored Ammonia from NiO1–x/MOR Validated by Experiments and Simulations

JM Crawford, R Anderson, RJ Gasvoda, NC Kovach, CS Smoljan, JB Jasinski, BG Trewyn, S Agarwal, DA Gómez-Gualdrón, MA Carreon, ACS Appl. Energy. Mater. (2020), 3, 8233


J Yu, R Anderson, X Li, W Xu, S Goswami, SS Rajasree, K Maindan, DA Gómez-Gualdrón, P Deria, J. Ame. Chem. Soc. (2020), 142, 11192


Z Chen, P Li, R Anderson, X Wang, X Zhang, L Robison, LR Redfern, S Moribe, T Islamoglu, DA Gómez-Gualdrón, T Yildirim, JF Stoddart, OK Farha, Science (2020), 368, 297


J Shah, F Gorky, P Psarras, B Seong, DA Gómez‐Gualdrón, ML Carreon, ChemCatChem (2020), 12, 1200


R Anderson, A Biong, DA Gómez-Gualdrón, J. Chem. Theo. Compu. (2020), 16, 1271


P Psarras, R Anderson, J Wilcox, DA Gómez-Gualdrón, J. Chem. Phys. C (2019), 123, 30416


Increasing topological diversity during computational “synthesis” of porous crystals: how and why

R Anderson and DA Gomez-Gualdron, CrystEngComm (2019), 21, 1653