Machine learning for organic photovoltaic polymers: a minireview

A Mahmood, A Irfan, JL Wang - Chinese Journal of Polymer Science, 2022 - Springer
Abstract Machine learning is a powerful tool that can provide a way to revolutionize the
material science. Its use for the designing and screening of materials for polymer solar cells …

Emerging trends in machine learning: a polymer perspective

TB Martin, DJ Audus - ACS Polymers Au, 2023 - ACS Publications
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …

TransPolymer: a Transformer-based language model for polymer property predictions

C Xu, Y Wang, A Barati Farimani - npj Computational Materials, 2023 - nature.com
Accurate and efficient prediction of polymer properties is of great significance in polymer
design. Conventionally, expensive and time-consuming experiments or simulations are …

New opportunity: machine learning for polymer materials design and discovery

P Xu, H Chen, M Li, W Lu - Advanced Theory and Simulations, 2022 - Wiley Online Library
Under the guidance of the material genome initiative (MGI), the use of data‐driven methods
to discover new materials has become an innovation of materials science. The polymer …

Machine learning-assisted development of organic solar cell materials: issues, analyses, and outlooks

Y Miyake, A Saeki - The Journal of Physical Chemistry Letters, 2021 - ACS Publications
Nonfullerene, a small molecular electron acceptor, has substantially improved the power
conversion efficiency of organic photovoltaics (OPVs). However, the large structural freedom …

The rise of machine learning in polymer discovery

C Yan, G Li - Advanced Intelligent Systems, 2023 - Wiley Online Library
In the recent decades, with rapid development in computing power and algorithms, machine
learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the …

Data-driven design of novel halide perovskite alloys

A Mannodi-Kanakkithodi, MKY Chan - Energy & Environmental …, 2022 - pubs.rsc.org
The great tunability of the properties of halide perovskites presents new opportunities for
optoelectronic applications as well as significant challenges associated with exploring …

Data-driven design and autonomous experimentation in soft and biological materials engineering

AL Ferguson, KA Brown - Annual Review of Chemical and …, 2022 - annualreviews.org
This article reviews recent developments in the applications of machine learning, data-
driven modeling, transfer learning, and autonomous experimentation for the discovery …

Machine learning-assisted polymer design for improving the performance of non-fullerene organic solar cells

K Kranthiraja, A Saeki - ACS Applied Materials & Interfaces, 2022 - ACS Publications
Despite the progress in machine learning (ML) in terms of prediction of power conversion
efficiency (PCE) in organic photovoltaics (OPV), the effectiveness of ML in practical …

Correlated RNN framework to quickly generate molecules with desired properties for energetic materials in the low data regime

C Li, C Wang, M Sun, Y Zeng, Y Yuan… - Journal of Chemical …, 2022 - ACS Publications
Motivated by the challenging of deep learning on the low data regime and the urgent
demand for intelligent design on highly energetic materials, we explore a correlated deep …