Editorial: Driving Innovation in Organic Optoelectronic Materials With Physics-Based and Machine-Learning De Novo Methods

por Winget, Paul, Halls, Mathew D., Gómez-Bombarelli, Rafael, Adachi, Chihaya
Publicado 2022

Active Learning Accelerates Design and Optimization of Hole-Transporting Materials for Organic Electronics

por Abroshan, Hadi, Kwak, H. Shaun, An, Yuling, Brown, Christopher, Chandrasekaran, Anand, Winget, Paul, Halls, Mathew D.
Publicado 2022

Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin

por Mileo, Paulo G. M., Krauter, Caroline M., Sanders, Jeffrey M., Browning, Andrea R., Halls, Mathew D.
Publicado 2023

Development of scalable and generalizable machine learned force field for polymers

por Mohanty, Shaswat, Stevenson, James, Browning, Andrea R., Jacobson, Leif, Leswing, Karl, Halls, Mathew D., Afzal, Mohammad Atif Faiz
Publicado 2023

Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations

por Kwak, H. Shaun, An, Yuling, Giesen, David J., Hughes, Thomas F., Brown, Christopher T., Leswing, Karl, Abroshan, Hadi, Halls, Mathew D.
Publicado 2022

Molecular Design Based on Donor-Weak Donor Scaffold for Blue Thermally-Activated Delayed Fluorescence Designed by Combinatorial DFT Calculations

por Tsuchiya, Youichi, Tsuji, Keita, Inada, Ko, Bencheikh, Fatima, Geng, Yan, Kwak, H. Shaun, Mustard, Thomas J. L., Halls, Mathew D., Nakanotani, Hajime, Adachi, Chihaya
Publicado 2020