Ed Pyzer-Knapp

Ed Pyzer-Knapp

Post Doctoral Researcher
Harvard University

Office: Biolabs 5014

E-mail: epyzerknapp [at] fas.harvard.edu
Address: 12 Oxford Street, Mailbox 59, Cambridge, MA 02138

  • PhD (Chemistry), 2010 – 2013 University of Cambridge, UK
  • MChem (Chemistry), 2006 – 2010 University of Durham, UK

Research Interests
  • Machine Learning
  • Cheminformatics
  • Crystal Structure Prediction
  • Organic Photovoltaics
  • High throughput virtual materials screening
  • The Harvard Clean Energy Project


  • Learning From the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery Edward O. Pyzer-Knapp, Kewei Li and Alán Aspuru-Guzik. Submitted 2015
  • What is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery Edward O. Pyzer-Knapp, Changwon Suh, Rafael Gómez-Bombarelli, Jorge Aguilera-Iparraguirre, and Alán Aspuru-Guzik. Annual Reviews of Materials Science 2015

  • Controlling the Crystallization of Porous Organic Cages: Molecular Analogs of Isoreticular Frameworks Using Shape-Specific Directing Solvents Tom Hasell, Jamie L. Culshaw, Samantha Y. Chong, Marc Schmidtmann, Marc A. Little, Kim E. Jelfs, Edward O. Pyzer-Knapp, Hilary Shepherd, Dave J. Adams, Graeme M. Day, and Andrew I. Cooper Journal of the American Chemical Society 2014 136 (4), 1438-1448
  • In silico Design of Supramolecules from Their Precursors: Odd–Even Effects in Cage-Forming Reactions Kim E. Jelfs, Edward G. B. Eden, Jamie L. Culshaw, Stephen Shakespeare, Edward O. Pyzer-Knapp, Hugh P. G. Thompson, John Bacsa, Graeme M. Day, Dave J. Adams, and Andrew I. Cooper Journal of the American Chemical Society 2013 135 (25), 9307-9310