Graph neural networks for materials science and chemistry

P Reiser, M Neubert, A Eberhard, L Torresi… - Communications …, 2022 - nature.com
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …

Science in the age of large language models

A Birhane, A Kasirzadeh, D Leslie… - Nature Reviews Physics, 2023 - nature.com
Rapid advances in the capabilities of large language models and the broad accessibility of
tools powered by this technology have led to both excitement and concern regarding their …

Artificial intelligence and illusions of understanding in scientific research

L Messeri, MJ Crockett - Nature, 2024 - nature.com
Scientists are enthusiastically imagining ways in which artificial intelligence (AI) tools might
improve research. Why are AI tools so attractive and what are the risks of implementing them …

Enhancing student engagement: Harnessing “AIED”'s power in hybrid education—A review analysis

A Almusaed, A Almssad, I Yitmen, RZ Homod - Education Sciences, 2023 - mdpi.com
Hybrid learning is a complex combination of face-to-face and online learning. This model
combines the use of multimedia materials with traditional classroom work. Virtual hybrid …

The central role of density functional theory in the AI age

B Huang, GF von Rudorff, OA von Lilienfeld - Science, 2023 - science.org
Density functional theory (DFT) plays a pivotal role in chemical and materials science
because of its relatively high predictive power, applicability, versatility, and computational …

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

KM Jablonka, Q Ai, A Al-Feghali, S Badhwar… - Digital …, 2023 - pubs.rsc.org
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists.
Recent studies suggested that these models could be useful in chemistry and materials …

Artificial intelligence and machine learning for quantum technologies

M Krenn, J Landgraf, T Foesel, F Marquardt - Physical Review A, 2023 - APS
In recent years the dramatic progress in machine learning has begun to impact many areas
of science and technology significantly. In the present perspective article, we explore how …

Exploiting redundancy in large materials datasets for efficient machine learning with less data

K Li, D Persaud, K Choudhary, B DeCost… - Nature …, 2023 - nature.com
Extensive efforts to gather materials data have largely overlooked potential data
redundancy. In this study, we present evidence of a significant degree of redundancy across …

Self-driving laboratory for polymer electronics

A Vriza, H Chan, J Xu - Chemistry of Materials, 2023 - ACS Publications
Owing to the chemical pluripotency and viscoelastic nature of electronic polymers, polymer
electronics have shown unique advances in many emerging applications such as skin-like …

Unlocking synergies between waste management and climate change mitigation to accelerate decarbonization through circular-economy digitalization in Indonesia

TA Kurniawan, C Meidiana, HH Goh, D Zhang… - Sustainable Production …, 2024 - Elsevier
As one of popular destinations in Indonesia for tourism, Lombok Island has been confronted
with an overgeneration of solid waste recently. About 600 metric ton (Mt) of the waste is …