[HTML][HTML] New approach methodologies in human regulatory toxicology–Not if, but how and when!

S Schmeisser, A Miccoli, M von Bergen… - Environment …, 2023 - Elsevier
The predominantly animal-centric approach of chemical safety assessment has increasingly
come under pressure. Society is questioning overall performance, sustainability, continued …

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 …

Perspective: Advances, challenges, and insight for predictive coarse-grained models

WG Noid - The Journal of Physical Chemistry B, 2023 - ACS Publications
By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

Roadmap on machine learning in electronic structure

HJ Kulik, T Hammerschmidt, J Schmidt, S Botti… - Electronic …, 2022 - iopscience.iop.org
In recent years, we have been witnessing a paradigm shift in computational materials
science. In fact, traditional methods, mostly developed in the second half of the XXth century …

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 …

Designing active oxides for a durable oxygen evolution reaction

SZ Oener, A Bergmann, BR Cuenya - Nature Synthesis, 2023 - nature.com
The oxygen evolution reaction (OER) balances the hydrogen evolution reaction when
splitting water into green hydrogen and oxygen with renewable electricity. Oxygen evolution …

Community Resource for Innovation in Polymer Technology (CRIPT): A Scalable Polymer Material Data Structure

DJ Walsh, W Zou, L Schneider, R Mello, ME Deagen… - 2023 - ACS Publications
Community Resource for Innovation in Polymer Technology (CRIPT): A Scalable Polymer
Material Data Structure | ACS Central Science ACS ACS Publications C&EN CAS Find my …

Roadmap for focused ion beam technologies

K Höflich, G Hobler, FI Allen, T Wirtz, G Rius… - Applied Physics …, 2023 - pubs.aip.org
The focused ion beam (FIB) is a powerful tool for fabrication, modification, and
characterization of materials down to the nanoscale. Starting with the gallium FIB, which was …

NOMAD: A distributed web-based platform for managing materials science research data

M Scheidgen, L Himanen, AN Ladines… - Journal of Open …, 2023 - joss.theoj.org
Materials science research is becoming increasingly data-driven, which requires more effort
to manage, share, and publish data. NOMAD is a web-based application that provides data …

From principles to reality. FAIR implementation in the nanosafety community

VI Dumit, A Ammar, MI Bakker, MA Bañares, C Bossa… - Nano Today, 2023 - Elsevier
Develo** safe and sustainable nanomaterials-based solutions to current global
challenges including clean energy, sustainable food production and water security requires …