Renewed prospects for organic photovoltaics

G Zhang, FR Lin, F Qi, T Heumüller, A Distler… - Chemical …, 2022 - ACS Publications
Organic photovoltaics (OPVs) have progressed steadily through three stages of photoactive
materials development:(i) use of poly (3-hexylthiophene) and fullerene-based acceptors …

Generative models as an emerging paradigm in the chemical sciences

DM Anstine, O Isayev - Journal of the American Chemical Society, 2023 - ACS Publications
Traditional computational approaches to design chemical species are limited by the need to
compute properties for a vast number of candidates, eg, by discriminative modeling …

An autonomous laboratory for the accelerated synthesis of novel materials

NJ Szymanski, B Rendy, Y Fei, RE Kumar, T He… - Nature, 2023 - nature.com
To close the gap between the rates of computational screening and experimental realization
of novel materials,, we introduce the A-Lab, an autonomous laboratory for the solid-state …

Autonomous chemical research with large language models

DA Boiko, R MacKnight, B Kline, G Gomes - Nature, 2023 - nature.com
Transformer-based large language models are making significant strides in various fields,
such as natural language processing,,,–, biology,, chemistry,–and computer programming …

Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Artificial intelligence: A powerful paradigm for scientific research

Y Xu, X Liu, X Cao, C Huang, E Liu, S Qian, X Liu… - The Innovation, 2021 - cell.com
Artificial intelligence (AI) coupled with promising machine learning (ML) techniques well
known from computer science is broadly affecting many aspects of various fields including …