Artificial Intelligence Agents for Materials Sciences

ON Oliveira Jr, L Christino, MCF Oliveira… - Journal of Chemical …, 2023 - ACS Publications
The artificial intelligence (AI) tools based on large-language models may serve as a
demonstration that we are reaching a groundbreaking new paradigm in which machines …

[图书][B] Machine learning in chemistry: data-driven algorithms, learning systems, and predictions

EO Pyzer-Knapp, T Laino, A Grisafi, D Wilkins, M Willatt… - 2019 - ACS Publications
New Possibilities for Artificial Intelligence in Chemical Research. Artificial intelligence, and
especially its application to chemistry, is an exciting and rapidly expanding area of research …

Development and uses of artificial intelligence in chemistry

H Cartwright - Reviews in Computational Chemistry, 2007 - Wiley Online Library
A decade ago, artificial intelligence (AI) was mainly of interest to computer scientists. Few
researchers in the physical sciences were familiar with the area; fewer still had tried to put its …

[HTML][HTML] Materials discovery with machine learning and knowledge discovery

ON Oliveira Jr, MCF Oliveira - Frontiers in chemistry, 2022 - frontiersin.org
Machine learning and other artificial intelligence methods are gaining increasing
prominence in chemistry and materials sciences, especially for materials design and …

Artificial intelligence in chemistry: current trends and future directions

ZJ Baum, X Yu, PY Ayala, Y Zhao… - Journal of Chemical …, 2021 - ACS Publications
The application of artificial intelligence (AI) to chemistry has grown tremendously in recent
years. In this Review, we studied the growth and distribution of AI-related chemistry …

[图书][B] Computational and Data-Driven Chemistry Using Artificial Intelligence: Fundamentals, Methods and Applications

T Akitsu - 2021 - books.google.com
Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1:
Fundamentals, Methods and Applications highlights fundamental knowledge and current …

[图书][B] Machine Learning in Chemistry

JP Janet, HJ Kulik - 2020 - books.google.com
Recent advances in machine learning or artificial intelligence for vision and natural
language processing that have enabled the development of new technologies such as …

[HTML][HTML] Emerging Chemistry & Machine Learning

CW Jones, W Lawal, X Xu - JACS Au, 2022 - ACS Publications
We all are witnesses to the recent explosion of applications of machine learning (ML) in
many branches of science. As a way to realize artificial intelligence (AI), ML itself has …

Natural language processing techniques for advancing materials discovery: a short review

JH Lee, M Lee, K Min - International Journal of Precision Engineering and …, 2023 - Springer
In the development of new industries, there is a growing demand for innovative materials.
However, locating such materials is a laborious and time-consuming endeavor. In response …

[HTML][HTML] Five high-impact research areas in machine learning for materials science

B Meredig - Chemistry of Materials, 2019 - ACS Publications
(ML) and artificial intelligence (AI) to materials science are now commonplace. As materials
informatics has matured from a niche area of research into an established discipline, distinct …