In pursuit of the exceptional: Research directions for machine learning in chemical and materials science
Exceptional molecules and materials with one or more extraordinary properties are both
technologically valuable and fundamentally interesting, because they often involve new …
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
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 …
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
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and
advanced computing to accelerate scientific discovery. The promise of this field has given …
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
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 …
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
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 …
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
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 …
sponsored by the US National Science Foundation, we define a vision for materials …
On the frontiers of coupled extreme environments
Coupled extreme environments pose among the highest demands on materials, stressing
the limits of temperature, pressure, electric and magnetic fields, atomic displacement rates …
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 …
phase separation of macromolecules such as proteins and RNA. Synthetic condensates …