Quantum Chemistry in Nanoscale Environments
Subtitle: Insights on Surface-Enhanced Raman Scattering and Organic Photovoltaics
Contributors: Aspuru-Guzik, Alán; Heller, Eric J.; Xie, Xiaoliang S.
Published: 2012
Language: eng
Description: The understanding of molecular effects in nanoscale environments is becoming increasingly relevant for various emerging fields. These include spectroscopy for molecular identification as well as in finding molecules for energy harvesting. Theoretical quantum chemistry has been increasingly useful to address these phenomena to yield an understanding of these effects.
Notes: Keywords: computational chemistry, GPU, nanoscale environment, organic photovoltaics, surface-enhanced Raman scattering, theoretical chemistry.

Thesis Ph.D. Harvard University 2012