Artificial intelligence and machine learning in design of mechanical materials

K Guo, Z Yang, CH Yu, MJ Buehler - Materials Horizons, 2021 - pubs.rsc.org
Artificial intelligence, especially machine learning (ML) and deep learning (DL) algorithms,
is becoming an important tool in the fields of materials and mechanical engineering …

Generative machine learning for de novo drug discovery: A systematic review

DD Martinelli - Computers in Biology and Medicine, 2022 - Elsevier
Recent research on artificial intelligence indicates that machine learning algorithms can
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …

Machine learning enables interpretable discovery of innovative polymers for gas separation membranes

J Yang, L Tao, J He, JR McCutcheon, Y Li - Science Advances, 2022 - science.org
Polymer membranes perform innumerable separations with far-reaching environmental
implications. Despite decades of research, design of new membrane materials remains a …

Machine-learning predictions of polymer properties with Polymer Genome

H Doan Tran, C Kim, L Chen… - Journal of Applied …, 2020 - pubs.aip.org
Polymer Genome is a web-based machine-learning capability to perform near-
instantaneous predictions of a variety of polymer properties. The prediction models are …

Recent applications of machine learning in alloy design: A review

M Hu, Q Tan, R Knibbe, M Xu, B Jiang, S Wang… - Materials Science and …, 2023 - Elsevier
The history of machine learning (ML) can be traced back to the 1950 s, and its application in
alloy design has recently begun to flourish and expand rapidly. The driving force behind this …

Benchmarking machine learning models for polymer informatics: an example of glass transition temperature

L Tao, V Varshney, Y Li - Journal of Chemical Information and …, 2021 - ACS Publications
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …

A review on machine learning algorithms for the ionic liquid chemical space

S Koutsoukos, F Philippi, F Malaret, T Welton - Chemical science, 2021 - pubs.rsc.org
There are thousands of papers published every year investigating the properties and
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …

Perfection not required? Human-AI partnerships in code translation

JD Weisz, M Muller, S Houde, J Richards… - Proceedings of the 26th …, 2021 - dl.acm.org
Generative models have become adept at producing artifacts such as images, videos, and
prose at human-like levels of proficiency. New generative techniques, such as unsupervised …

[HTML][HTML] Enhancing property prediction and process optimization in building materials through machine learning: A review

K Stergiou, C Ntakolia, P Varytis, E Koumoulos… - Computational Materials …, 2023 - Elsevier
Abstract Analysis and design, as the most critical components in material science, require a
highly rigorous approach to assure long-term success. Due to a recent increase in the …

Cellulose processing in ionic liquids from a materials science perspective: turning a versatile biopolymer into the cornerstone of our sustainable future

L Szabó, R Milotskyi, G Sharma, K Takahashi - Green Chemistry, 2023 - pubs.rsc.org
Shaping cellulose into functional materials entered a new era with the introduction of ionic
liquids as novel, green solvents about 20 years ago. As non-volatile solvents with high …