Personal profile
About
Dr. Jarvis's research interesting include first principle characterization of inorganic molecules, solids and surfaces, and electronic excited states in small molecules with particular emphasis on atomic-level mechanisms of catalysis, materials failure and chemical modifications designed to enhance materials performance.
High Performance Computing and Federal science policy.
High Performance Computing and Federal science policy.
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Computational Investigation of the Structural and Electronic Effects of Phenyl, Alkyl, and Halogen Fully Substituted Acenes
Jain, V. V., Tully, G. G., Jarvis, P. W. & Jarvis, E. A. A., Aug 12 2025, In: ACS Omega. 10, 31, p. 34308-34320 13 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Computational Investigation of Mononuclear Iron Water Oxidation Catalyst Design
Jarvis, E. & Stevens, K., Oct 25 2023, In: Universal Journal of Green Chemistry. 1, 2, 12 p.Research output: Contribution to journal › Article › peer-review
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Quantum Chemistry-Machine Learning Approach for Predicting Properties of Lewis Acid-Lewis Base Adducts
Huynh, H., Kelly, T. J., Vu, L., Hoang, T., Nguyen, P. A., Le, T. C., Jarvis, E. A. & Phan, H., May 19 2023, In: ACS Omega. 8, 21, p. 19119-19127 9 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Green chemistry in United States science policy
Jarvis, E. A. ., Apr 3 2019, In: Green Chemistry Letters and Reviews. 12, 2, p. 161-167 7 p.Research output: Contribution to journal › Letter › peer-review
Open Access -
Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling
Phan, H., Kelly, T. J., Zhugayevych, A., Bazan, G. C., Nguyen, T. Q., Jarvis, E. A. & Tretiak, S., Aug 15 2019, In: Journal of Physical Chemistry Letters. 10, 16, p. 4632-4638 7 p.Research output: Contribution to journal › Article › peer-review
Open Access