Browsing by Author "Hachmann, Johannes"
Now showing items 1-3 of 3
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Accelerated Computational Discovery of High-Performance Materials for Organic Photovoltaics by Means of Cheminformatics
Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Hachmann, Johannes; Atahan-Evrenk, Sule; Sánchez-Carrera, Roel S.; Vogt, Leslie; Aspuru-Guzik, Alán (Royal Society of Chemistry, 2011)In this perspective we explore the use of strategies from drug discovery, pattern recognition, and machine learning in the context of computational materials science. We focus our discussion on the development of donor ... -
The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid
Aspuru-Guzik, Alan; Hachmann, Johannes; Olivares-Amaya, Roberto; Atahan-Evrenk, Sule; Amador-Bedolla, Carlos; Sanchez-Carrera, Roel; Gold-Parker, Aryeh; Vogt, Leslie; Brockway, Anna M. (American Chemical Society, 2011)This Perspective introduces the Harvard Clean Energy Project (CEP), a theory-driven search for the next generation of organic solar cell materials. We give a broad overview of its setup and infrastructure, present first ... -
Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project
Hachmann, Johannes; Olivares-Amaya, Roberto; Jinich, Adrian; Appleton, Anthony L.; Blood-Forsythe, Martin; Seress, Laszlo Ryan; Román-Salgado, Carolina; Trepte, Kai; Atahan-Evrenk, Sule; Er, Suleyman; Shrestha, Supriya; Mondal, Rajib; Sokolov, Anatoliy; Bao, Zhenan; Aspuru-Guzik, Alan (Royal Society of Chemistry (RSC), 2014)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 ...