In this talk, I will describe our group's advances in the high-throughput computational design of renewable energy materials. I will focus on the methodology improvements and computational flow developments, and exemplify it with our recent application to the development of a metal-free organic flow battery as well as provide an udpate in our work in photovoltaics in the Harvard Clean Energy Project http://cleanenergy.harvard.edu and our open database project http://www.molecularspace.org[1] Energy & Environmental Science7, no. 2 (2014): 698-704.[2] Nature 505 (2014): 195�198.

Computational design of renewable energy materials: A high-throughput approach for the design of organic flow batteries and photovoltaics

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.