Results 181 to 190 of about 117,345 (255)

Better Inputs, Better Learning: A Peptide Embedding Tutorial for Proteomic Mass Spectrometry. [PDF]

J Proteome Res
Squires L, Giraldez Chavez JH, Nilsson A, Käll L, Payne SH.   +4 more
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

Stimulus dependencies-rather than next-word prediction-can explain pre-onset brain encoding in naturalistic listening designs. [PDF]

Elife
Schönmann I, Szewczyk J, de Lange FP, Heilbron M.   +3 more
europepmc   +1 more source

Creep‐Induced Microstructural Evolution in an A2‐B2 Superalloy

Advanced Engineering Materials, EarlyView.
A 27.3Ta‐27.3Mo‐27.3Ti‐8Cr‐10Al (at.%) refractory high‐entropy alloy with precipitation‐strengthened A2‐B2 microstructure was studied by creep tests at 1030°C, which demonstrate a transition in deformation mechanisms in the range of 100–150 MPa applied stress. This is associated with changes in dislocation–precipitate interactions. Relevant deformation
Liu Yang, Aparajita Pramanik, Sandipan Sen, Shubhashis Dixit, Marcel Muench, R. J. Vikram, Daniel Schliephake, Yolita M. Eggeler, Ankur Chauhan, Martin Heilmaier, Alexander Kauffmann   +10 more
wiley   +1 more source

Simulating enzyme catalysis with electrostatically embedded machine learning potentials. [PDF]

Chem Sci
Gradisteanu V, Chan EW, Hedges L, Malagarriga M, David R, de la Puente M, Laage D, Tuñón I, van der Kamp MW, Zinovjev K.   +9 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

Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys. [PDF]

J Chem Theory Comput
Hutchison P, Wei Z, Carter EA.
europepmc   +1 more source

Influence of Test Temperature and Test Frequency on Fatigue Life of Aluminum Alloy EN AW‐2618A

Advanced Engineering Materials, EarlyView.
The influence of test temperature and test frequency on the fatigue life of EN AW‐2618A is investigated. High‐cycle fatigue tests are performed at different test temperatures and frequencies on the 1000 h/230°C overaged state. Both test parameters reduce fatigue life due to time‐dependent damage mechanisms.
Ying Han, Julian M. Rosalie, Jan Radners, Mauro Madia, Philipp von Hartrott, Birgit Skrotzki   +5 more
wiley   +1 more source

Modelling variability in functional brain networks using embeddings. [PDF]

Imaging Neurosci (Camb)
Huang R, Gohil C, Woolrich M.
europepmc   +1 more source

Creep Properties and Deformation Mechanism of Additively Manufactured NiAl‐CrMo Composites

Advanced Engineering Materials, EarlyView.
Additively manufactured NiAl‐CrMo composites contain numerous interfaces and cell boundaries that control their creep response. At 700°C under high applied stress, creep is dominated by dislocation‐controlled power‐law mechanisms. At 800°C–900°C and lower stresses, creep is primarily diffusion‐controlled along cell boundaries.
Jan Vollhüter, Andreas Bezold, Johan Westraadt, Katharina Fiegl, Subham Chattoraj, Benjamin Wahlmann, Carolin Körner, Michael Mills, Mathias Göken, Steffen Neumeier   +9 more
wiley   +1 more source