Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients-Reference-Cited by-同舟云学术

Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients

Published:2024-07-08 Issue:14 Volume:20 Page:6160-6174
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ghalami Farhad¹²,Dohmen Philipp M.¹,Krämer Mila¹,Elstner Marcus¹²³^ORCID,Xie Weiwei⁴^ORCID

Affiliation:

1. Institute of Physical Chemistry (IPC), Karlsruhe Institute of Technology, Kaiserstr. 12, 76131 Karlsruhe, Germany

2. Institute of Nano Technology (INT), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

3. Institute of Biological Interfaces (IBG-2), Karlsruhe Institute of Technology, Kaiserstr. 12, 76131 Karlsruhe, Germany

4. Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), State Key Laboratory of Advanced Chemical Power Sources, College of Chemistry, Nankai University, Tianjin 300071, China

Funder

Deutsche Forschungsgemeinschaft

National Natural Science Foundation of China

Klaus Tschira Stiftung

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00220

Reference73 articles.

1. Dynamics of Excitons in Conjugated Molecules and Organic Semiconductor Systems

2. Organic/Organic′ Heterojunctions: Organic Light Emitting Diodes and Organic Photovoltaic Devices

3. Efficiency and Stability of p-i-n Type Organic Light Emitting Diodes for Display and Lighting Applications

4. Electron Transport Materials for Organic Light-Emitting Diodes

5. Organic Thin Film Transistors for Large Area Electronics