- 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, and Alán Aspuru-Guzik. Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project. Energy & Environmental Science (2013). Advance Article. Download PDF.
- C. Amador-Bedolla, R. Olivares-Amaya, J. Hachmann, A. Aspuru-Guzik, Towards Materials Informatics for Organic Photovoltaics, in Informatics for Materials Science and Engineering, K. Rajan, Ed., Elsevier, Amsterdam (2013). In press.
- R. Olivares-Amaya, C. Amador-Bedolla, J. Hachmann, S. Atahan-Evrenk, R.S. Sánchez-Carrera, L. Vogt, A. Aspuru-Guzik, Accelerated Computational Discovery of High-performance Materials for Organic Photovoltaics by Means of Cheminformatics. Energy & Environmental Science 4 (2011), 4849–4861. Download PDF.
- J. Hachmann, R. Olivares-Amaya, S. Atahan-Evrenk, C. Amador-Bedolla, R.S. Sánchez-Carrera, A. Gold-Parker, L. Vogt, A.M. Brockway, A. Aspuru-Guzik, The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid. The Journal of Physical Chemistry Letters 2 (2011), 2241–2251. Download PDF.
- A.N. Sokolov, S. Atahan-Evrenk, R. Mondal, H.B. Akkerman, R.S. Sánchez-Carrera, S. Granados-Focil, J. Schrier, S.C.B. Mannsfeld, A.P. Zoombelt, Z. Bao, A. Aspuru-Guzik, From Computational Discovery to Experimental Characterization of a High Hole Mobility Organic Crystal. Nature Communications 2 (2011), 437. Download PDF.
- R.S. Sánchez-Carrera, S. Atahan, J. Schrier, A. Aspuru-Guzik, Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Organic Semiconductor. The Journal of Physical Chemistry C 114 (2010), 2334–2340. Download PDF.
- R.S. Sánchez-Carrera, M.C. Ruiz Delgado, C. Capel Ferrón, R. Malavé Osuna, V. Hernández, J.T. López Navarrete, A. Aspuru-Guzik, Optical Absorption and Emission Properties of End-capped Oligothienoacenes: A Joint Theoretical and Experimental Study. Organic Electronics 11 (2010), 1701–1712. Download PDF.
