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Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project

The virtual high-throughput screening framework of the Harvard Clean Energy Project allows for the computational assessment of candidate structures for organic electronic materials – in particular photovoltaics – at an unprecedented scale. We report the most promising compounds that have emerged after studyi

Authors:   Johannes Hachmann; Roberto Olivares-Amaya; Adrian Jinich; Anthony L. Appleton; Martin A. Blood-Forsythe; László R. Seress; Carolina Román-Salgado; Kai Trepte; Sule Atahan-Evrenk; Süleyman Er; Supriya Shrestha; Rajib Mondal; Anatoliy Sokolov; Zhenan Bao; Alán Aspuru-Guzik
Journal:   Energy & Environmental Science
Volume:   7
edition:   2
Pages:   698
DOI:   10.1039/C3EE42756K
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