Results 171 to 180 of about 21,300,669 (261)

In Situ Local Resistance Analysis of Mechanical Degradation in All-Solid-State Batteries. [PDF]

Adv Sci (Weinh)
Gamo H, Maeda Y, Yamagishi Y, Kiyobayashi T, Ishida N, Siroma Z, Kuratani K, Takeichi N, Sano H.   +8 more
europepmc   +1 more source

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source

(TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes. [PDF]

J Mol Model
Soeiro MM, Rosa NMP, Borges I.
europepmc   +1 more source

The PRIMA Thesaurus for Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa, Alexey Boubnov, Dario De Angelis, Catriona Eschke, Maximilian Kabbe, Felix Kraus, Mirco Panighel, Richard Thelen, Davide Valentinis   +8 more
wiley   +1 more source

Channel-resolved excitation trends in Si, GaAs, and NiO for sub-GeV dark matter detection. [PDF]

Sci Rep
Sharaf MAM.
europepmc   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Robots and Minimal, Physics-Informed Features: A Hybrid Framework for Enzyme Catalysis. [PDF]

Adv Sci (Weinh)
Onishchenko N, Larsen ES, Paneru G, Lee K, Kolygina DV, Jia Y, Clarissa EM, Wong WS, Grzybowski BA.   +8 more
europepmc   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Non-adiabatic effects in the photodissociation of H₂S.

Phys Chem Chem Phys
Perri AN, Mitrushchenkov AO, Yurchenko SN, Tennyson J.   +3 more
europepmc   +1 more source

GFN1-xTB-Assisted Machine Learning for Electronic Structure Screening of Metal-Organic Frameworks. [PDF]

J Chem Theory Comput
Jose A, Walsh A.
europepmc   +1 more source