About the Rappe Group
The Rappe Group engages in theoretical investigation to explain and predict the properties of a broad spectrum of fascinating chemical systems, from small molecules to complex lattices.
The group interests cover a wide range of topics involving primarily condensed-matter theory. We employ theory, simulations, and quantum mechanical modeling to understand the physical and chemical properties of bulk, surfaces, and interfaces; ultimately, so that we may take advantage of these properties to address current needs in the field of energy, electronics, sensors, and catalysis.
Congratulations to Dr. Ruixiang Fei won Chinese Goverment Award for Outstanding Students Abroad.
Please refere to the list here no. 346.
Congratulations to Jing Yang won the 2018 Phase-I MolSSI Software Fellows!
Click here for details.
- J. Yang, Y. Qi, H.D. kim, and A. M. Rappe, “Mechanism of benzene tribopolymerization on the RuO2(110) surface”, Phys. Rev. Appl. 9, 044038(1-6) (2018) PDF
- A. B. Laursen, R. B. Wexler, M. J. Whitaker, E. J. Izett, K. U. D. Calvinho, S. Hwang, R. Rucker, H. Wang, J. Li, E. Garfunkel, M. Greenblatt, A. M. Rappe, and G. C. Dismukes, “Climbing the volcano of electrocatalytic activity while avoiding catalyst corrosion: Ni3P, a hydrogen evolution electrocatalyst stable in both acid and alkali”, ACS Catal. 8, 4408-4419 (2018) PDF