Theoretical studies of charge transfer phenomena in molecular systems for renewable energy applications
Loading...
Authors
Buchwald, James R.
Issue Date
2017-08
Type
Electronic thesis
Thesis
Thesis
Language
ENG
Keywords
Chemistry
Alternative Title
Abstract
The advent of high-performance computing presents new opportunities for computer-aided rational design of artificial photosynthesis catalysts. Despite the recent availability of petascale supercomputers, adequate software solutions for catalyst design are not yet available. This dissertation reports several new efforts to develop computational methods for the study and design of artificial photosynthesis catalysts.
Description
August 2017
School of Science
School of Science
Full Citation
Publisher
Rensselaer Polytechnic Institute, Troy, NY