David P. McMahon

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Functional materials discovery using energy–structure–function maps

Angeles Pulido, Linjiang Chen, Tomasz Kaczorowski et al. · Nature · 2017 · 475 citations

Materials Science, Functional Materials, Engineering +1

A transferable model for singlet-fission kinetics

Shane R. Yost, Jiye Lee, Mark W. B. Wilson et al. · Nature Chemistry · 2014 · 463 citations

Physics, Nuclear Fission, Natural Sciences +3

Evaluation of the External Reorganization Energy of Polyacenes

David P. McMahon, Alessandro Troisi · The Journal of Physical Chemistry Letters · 2010 · 331 citations

Molecular Solid, Engineering, Macromolecular Architecture +14

Why Holes and Electrons Separate So Well in Polymer/Fullerene Photovoltaic Cells

David P. McMahon, David L. Cheung, Alessandro Troisi · The Journal of Physical Chemistry Letters · 2011 · 190 citations