Generative models for molecular discovery: Recent advances and challenges

C Bilodeau, W Jin, T Jaakkola… - Wiley …, 2022 - Wiley Online Library
Abstract Development of new products often relies on the discovery of novel molecules.
While conventional molecular design involves using human expertise to propose …

Perspectives for self-driving labs in synthetic biology

HG Martin, T Radivojevic, J Zucker, K Bouchard… - Current Opinion in …, 2023 - Elsevier
Highlights•Self-driving labs (SDLs) combine automated experiments with AI to direct
them.•Synthetic biology provides a unique opportunity for the development of SDLs.•The …

Accelerating organic solar cell material's discovery: high-throughput screening and big data

X Rodríguez-Martínez, E Pascual-San-José… - Energy & …, 2021 - pubs.rsc.org
The discovery of novel high-performing materials such as non-fullerene acceptors and low
band gap donor polymers underlines the steady increase of record efficiencies in organic …

What is missing in autonomous discovery: open challenges for the community

PM Maffettone, P Friederich, SG Baird, B Blaiszik… - Digital …, 2023 - pubs.rsc.org
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and
advanced computing to accelerate scientific discovery. The promise of this field has given …

Digital innovation enabled nanomaterial manufacturing; machine learning strategies and green perspectives

G Konstantopoulos, EP Koumoulos, CA Charitidis - Nanomaterials, 2022 - mdpi.com
Machine learning has been an emerging scientific field serving the modern multidisciplinary
needs in the Materials Science and Manufacturing sector. The taxonomy and mapping of …

Machine vision-based detections of transparent chemical vessels toward the safe automation of material synthesis

LCO Tiong, HJ Yoo, N Kim, C Kim, KY Lee… - npj Computational …, 2024 - nature.com
Although robot-based automation in chemistry laboratories can accelerate the material
development process, surveillance-free environments may lead to dangerous accidents …

Intelligent urbanism with artificial intelligence in shaping tomorrow's smart cities: current developments, trends, and future directions

Z Yan, L Jiang, X Huang, L Zhang, X Zhou - Journal of Cloud Computing, 2023 - Springer
Abstract 21st century has witnessed a profound metamorphosis in human civilization,
primarily driven by the confluence of advanced network technologies and industrial …

Machine learning-driven advanced development of carbon-based luminescent nanomaterials

DAM Muyassiroh, FA Permatasari… - Journal of Materials …, 2022 - pubs.rsc.org
Carbon-based luminescent nanomaterials (CLNMs) have been progressively developed
and exhibit excellent performance in broad applications. However, the unclear formation …

A dynamic Bayesian optimized active recommender system for curiosity-driven partially Human-in-the-loop automated experiments

A Biswas, Y Liu, N Creange, YC Liu, S Jesse… - npj Computational …, 2024 - nature.com
Optimization of experimental materials synthesis and characterization through active
learning methods has been growing over the last decade, with examples ranging from …

Performance prediction and experimental optimization assisted by machine learning for organic photovoltaics

ZW Zhao, Y Geng, A Troisi, H Ma - Advanced Intelligent …, 2022 - Wiley Online Library
The improvements of organic photovoltaics (OPVs) are mainly implemented by the design of
novel materials and optimizations of experimental conditions through extensive trial‐and …