Barrierless Free Carrier Formation in an Organic Photovoltaic Material Measured with Ultrafast Vibrational Spectroscopy

2009 ◽  
Vol 131 (44) ◽  
pp. 15986-15987 ◽  
Author(s):  
Ryan D. Pensack ◽  
John B. Asbury

2009 ◽  
Vol 11 (15) ◽  
pp. 2575 ◽  
Author(s):  
Ryan D. Pensack ◽  
Kyle M. Banyas ◽  
Larry W. Barbour ◽  
Maureen Hegadorn ◽  
John B. Asbury


2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.



Author(s):  
Damien Laage ◽  
Guillaume Stirnemann ◽  
James T. Hynes


2015 ◽  
Vol 142 (21) ◽  
pp. 212425 ◽  
Author(s):  
Thomas Brinzer ◽  
Eric J. Berquist ◽  
Samrat Dutta ◽  
Clinton A. Johnson ◽  
Cullen S. Krisher ◽  
...  


2015 ◽  
Vol 17 (40) ◽  
pp. 26575-26579 ◽  
Author(s):  
Samrat Dutta ◽  
Zhe Ren ◽  
Thomas Brinzer ◽  
Sean Garrett-Roe

2D-IR studies of organic and inorganic azides dissolved in ionic liquids show different solvation structures and picosecond dynamics.





2019 ◽  
Vol 205 ◽  
pp. 03002
Author(s):  
Ikki Morichika ◽  
Atsunori Sakurai ◽  
Satoshi Ashihara

We demonstrate surface-enhanced ultrafast vibrational spectroscopy employing periodic arrays of infrared-resonant gold nanoantennas. The antenna-enhancements of molecular vibrational responses are analytically formulated with a simple coupled-dipole model, and the linear/nonlinear local signal enhancements are evaluated to be ~104 and 107, respectively.



2014 ◽  
Vol 118 (24) ◽  
pp. 6839-6849 ◽  
Author(s):  
Alexandr N. Simonov ◽  
Peter Kemppinen ◽  
Cristina Pozo-Gonzalo ◽  
John F. Boas ◽  
Ante Bilic ◽  
...  


2017 ◽  
Vol 8 (14) ◽  
pp. 3341-3346 ◽  
Author(s):  
Andrey Gandman ◽  
Robert Mackin ◽  
Bar Cohn ◽  
Igor V. Rubtsov ◽  
Lev Chuntonov


2001 ◽  
Vol 105 (13) ◽  
pp. 2929-2932 ◽  
Author(s):  
Jens Stenger ◽  
Dorte Madsen ◽  
Jens Dreyer ◽  
Erik T. J. Nibbering ◽  
Peter Hamm ◽  
...  


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