Andrew Rappe
Professor of Chemistry and
Materials Science and Engineering (MSE)
Email | Personal Webpage | Research Webpage
Research Expertise: Chemistry of Materials | Nanostructured Materials | Surfaces & Interfaces
Andrew employs theory and quantum-mechanical modeling to study the relationships between bulk phase transitions, material interfaces, and surface chemistry. His group develops new methods for accurate, efficient electronic structure calculations, and designs new materials for solar energy harvesting and conversion to chemical fuels. They also propose nanocomposites of functional materials to create new catalytic materials, and investigate the properties of ferroelectric materials in bulk, nanoscale films, nanowires, and nanoparticles for functional applications ranging from non-volatile RAM to SONAR detection and sensing.
Member of:
Education:
PhD Physics and Chemistry 1992 - Massachusetts Institute of Technology
Recent Publications 
- Anisotropic local correlations and dynamics in a relaxor ferroelectric, Takenaka, H. | Grinberg, I. | Rappe, A.M., Physical Review Letters, 2013
- Computational study of chain transfer to monomer reactions in high-temperature polymerization of Alkyl acrylates, Moghadam, N. | Liu, S. | Srinivasan, S. | Grady, M.C. | Soroush, M. | Rappe, A.M., Journal of Physical Chemistry A, 2013
- Development of a bond-valence based interatomic potential for BiFeO 3 for accurate molecular dynamics simulations, Liu, S. | Grinberg, I. | Rappe, A.M., Journal of Physics Condensed Matter, 2013
- Prediction of a linear spin bulk photovoltaic effect in antiferromagnets, Young, S.M. | Zheng, F. | Rappe, A.M., Physical Review Letters, 2013
- Spin texture on the Fermi surface of tensile-strained HgTe, Zaheer, S. | Young, S.M. | Cellucci, D. | Teo, J.C.Y. | Kane, C.L. | Mele, E.J. | Rappe, A.M., Physical Review B - Condensed Matter and Materials Physics, 2013