Theoretical studies of charge transfer phenomena in molecular systems for renewable energy applications
Authors
Buchwald, James R.
ORCID
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Other Contributors
Dinolfo, Peter
Breneman, Curt M.
Bae, Chulsung
Meunier, Vincent
Breneman, Curt M.
Bae, Chulsung
Meunier, Vincent
Issue Date
2017-08
Keywords
Chemistry
Degree
PhD
Terms of Use
This electronic version is a licensed copy owned by Rensselaer Polytechnic Institute, Troy, NY. Copyright of original work retained by author.
Full Citation
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
Department
Dept. of Chemistry and Chemical Biology
Publisher
Rensselaer Polytechnic Institute, Troy, NY
Relationships
Rensselaer Theses and Dissertations Online Collection
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