Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Knowledge-integrated machine learning for materials: lessons from gameplaying and robotics

K Hippalgaonkar, Q Li, X Wang, JW Fisher III… - Nature Reviews …, 2023 - nature.com
As materials researchers increasingly embrace machine-learning (ML) methods, it is natural
to wonder what lessons can be learned from other fields undergoing similar developments …

ChemOS 2.0: An orchestration architecture for chemical self-driving laboratories

M Sim, MG Vakili, F Strieth-Kalthoff, H Hao… - Matter, 2024 - cell.com
Summary Self-driving laboratories (SDLs), which combine automated experimental
hardware with computational experiment planning, have emerged as powerful tools for …

Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs

AKY Low, F Mekki-Berrada, A Gupta… - npj Computational …, 2024 - nature.com
The development of automated high-throughput experimental platforms has enabled fast
sampling of high-dimensional decision spaces. To reach target properties efficiently, these …

Globus automation services: Research process automation across the space–time continuum

R Chard, J Pruyne, K McKee, J Bryan… - Future Generation …, 2023 - Elsevier
Research process automation–the reliable, efficient, and reproducible execution of linked
sets of actions on scientific instruments, computers, data stores, and other resources–has …

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 …

Reproducibility in automated chemistry laboratories using computer science abstractions

RB Canty, M Abolhasani - Nature Synthesis, 2024 - nature.com
While abstraction is critical for the transferability of automated laboratory science in (bio)
chemical and materials sciences, its improper implementation is a technical debt taken …

Orchestrating nimble experiments across interconnected labs

D Guevarra, K Kan, Y Lai, RJR Jones, L Zhou… - Digital …, 2023 - pubs.rsc.org
Advancements in artificial intelligence (AI) for science are continually expanding the value
proposition for automation in materials and chemistry experiments. The advent of …

Illustrating an effective workflow for accelerated materials discovery

M Mulukutla, AN Person, S Voigt, L Kuettner… - Integrating Materials and …, 2024 - Springer
Algorithmic materials discovery is a multidisciplinary domain that integrates insights from
specialists in alloy design, synthesis, characterization, experimental methodologies …