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List of works by Carlos Amador-Bedolla

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units

scientific article published on 30 January 2008

Atomistic simulations of bulk heterojunctions to evaluate the structural and packing properties of new predicted donors in OPVs

scientific article published on 01 September 2019

Electronic transport in organic photovoltaic materials subjected to dark and light irradiation conditions: A first principles study

scientific article published in 2022

Parameterization of prototype organic small molecules suitable for OPVs and molecular dynamics simulations: the BTT and BPT cases

scientific article published on 03 April 2019

Reagents for electrophilic amination: A quantum Monte Carlo study

article

Reassessment of the Four-Point Approach to the Electron-Transfer Marcus-Hush Theory

scientific article published on 21 February 2018

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

article by Johannes Hachmann et al published 22 August 2011 in Journal of Physical Chemistry Letters

Theoretical exploration of 2,2'-bipyridines as electro-active compounds in flow batteries

scientific article published on 01 July 2019

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