Aggregation of a Dibenzo[b,def]chrysene Based Organic Photovoltaic Material in Solution

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

ORGANIC (1).pdf

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Machine Learning ◽  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

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.

Excitation Transport and Charge Separation in an Organic Photovoltaic Material:  Watching Excitations Diffuse to Interfaces

2008 ◽  
Vol 112 (10) ◽  
pp. 3926-3934 ◽  
Author(s):  
Larry W. Barbour ◽  
Ryan D. Pensack ◽  
Maureen Hegadorn ◽  
Sergei Arzhantsev ◽  
John B. Asbury
Keyword(s):  
Charge Separation ◽  
Organic Photovoltaic ◽  
Photovoltaic Material

scholarly journals Effect of the polarization effect on the charge-transfer process of triad organic photovoltaic material

2020 ◽  
Author(s):  
Jaebeom Han ◽  
Huseyin Aksu ◽  
Buddhadev Maiti ◽  
Xiang Sun ◽  
Eitan Geva ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transfer Process ◽  
Polarization Effect ◽  
Organic Photovoltaic ◽  
Charge Transfer Process ◽  
Photovoltaic Material

Impurity-related degradation in a prototype organic photovoltaic material: A first-principles study

2013 ◽  
Vol 14 (5) ◽  
pp. 1242-1248 ◽  
Author(s):  
G. Volonakis ◽  
L. Tsetseris ◽  
S. Logothetidis
Keyword(s):  
First Principles ◽  
Organic Photovoltaic ◽  
First Principles Study ◽  
Photovoltaic Material

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Inverse Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

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.

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Inverse Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

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.

scholarly journals Effect of Annealing on Exciton Diffusion in a High Performance Small Molecule Organic Photovoltaic Material

2017 ◽  
Vol 9 (17) ◽  
pp. 14945-14952 ◽  
Author(s):  
Yun Long ◽  
Gordon J. Hedley ◽  
Arvydas Ruseckas ◽  
Mithun Chowdhury ◽  
Thomas Roland ◽  
...  
Keyword(s):  
Small Molecule ◽  
High Performance ◽  
Organic Photovoltaic ◽  
Exciton Diffusion ◽  
Photovoltaic Material

scholarly journals Effect of the polarization effect on the charge-transfer process of triad organic photovoltaic material

2020 ◽  
Author(s):  
Jaebeom Han ◽  
Huseyin Aksu ◽  
Buddhadev Maiti ◽  
Xiang Sun ◽  
Eitan Geva ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transfer Process ◽  
Polarization Effect ◽  
Organic Photovoltaic ◽  
Charge Transfer Process ◽  
Photovoltaic Material

scholarly journals Effect of the polarization effect on the charge-transfer process of triad organic photovoltaic material

2020 ◽  
Author(s):  
Jaebeom Han ◽  
Huseyin Aksu ◽  
Buddhadev Maiti ◽  
Xiang Sun ◽  
Eitan Geva ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transfer Process ◽  
Polarization Effect ◽  
Organic Photovoltaic ◽  
Charge Transfer Process ◽  
Photovoltaic Material
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