In pursuit of the exceptional: Research directions for machine learning in chemical and materials science

J Schrier, AJ Norquist, T Buonassisi… - Journal of the American …, 2023 - ACS Publications
Exceptional molecules and materials with one or more extraordinary properties are both
technologically valuable and fundamentally interesting, because they often involve new …

Review of low-cost self-driving laboratories in chemistry and materials science: the “frugal twin” concept

S Lo, SG Baird, J Schrier, B Blaiszik, N Carson… - Digital …, 2024 - pubs.rsc.org
This review proposes the concept of a “frugal twin,” similar to a digital twin, but for physical
experiments. Frugal twins range from simple toy examples to low-cost surrogates of high …

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 …

Data‐Driven Fine Element Tuning of Halide Double Perovskite for Enhanced Photoluminescence

L Wu, Z Chen, Z Yuan, B Wu, S Liu… - Advanced Optical …, 2024 - Wiley Online Library
Element tuning of targeted materials and obtaining the optimal synthesis recipe are major
goals for many material scientists. However, this is often limited by conventional trial‐and …

Review of Low-cost Self-driving Laboratories: The" Frugal Twin" Concept

S Lo, S Baird, J Schrier, B Blaiszik, N Carson, I Foster… - 2023 - chemrxiv.org
This review proposes the concept of a “frugal twin,” similar to a digital twin, but for physical
experiments. Frugal twins range from simple toy examples to low-cost surrogates of high …

Materials laboratories of the future for alloys, amorphous, and composite materials

S Banerjee, YS Meng, AM Minor, M Zhang, NJ Zaluzec… - MRS Bulletin, 2025 - Springer
In alignment with the Materials Genome Initiative and as the product of a workshop
sponsored by the US National Science Foundation, we define a vision for materials …

On the frontiers of coupled extreme environments

ML Taheri, W Carter, BP Uberuaga - MRS Bulletin, 2022 - Springer
Coupled extreme environments pose among the highest demands on materials, stressing
the limits of temperature, pressure, electric and magnetic fields, atomic displacement rates …

Automated navigation of condensate phase behavior with active machine learning

Y Leurs, W van den Hout, A Gardin, J van Dongen… - 2024 - chemrxiv.org
Biomolecular condensates are essential functional cellular structures that form through
phase separation of macromolecules such as proteins and RNA. Synthetic condensates …