Results 161 to 170 of about 745,236 (302)

Supramolecular Behaviour of Heterochiral Dipeptides With Ile. [PDF]

J Pept Sci
Scarel E, Alletto P, Adorinni S, Fazio F, Pierri G, Tedesco C, Marchesan S.   +6 more
europepmc   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

Machine Learning-Driven Refinement of Reactive Force Fields via Hierarchical "Center-Environment" Features for Energetic Molecular Crystals. [PDF]

Molecules
He Q, Wang P, He X, Zhang J, Liu Y.
europepmc   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Sequential changes in urinary crystal morphology in ethylene glycol poisoning: first human LV-SEM characterization of recovery-phase crystals. [PDF]

CEN Case Rep
Ito H, Hirose T, Suzuki Y, Yano K, Ishikawa R, Yuki T, Hashimoto H, Anan G, Shimada T, Itagaki H, Abe Y, Endo T, Mori T.   +12 more
europepmc   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Crystals that Flow. Book review

, 2004
A review of the book Crystals that flow, by T.J. Sluckin, D.A. Dunmur and H. Stegemeyer Taylor & Francis, London (2004)
ZANNONI, CLAUDIO
core  

New Polymorphic Modifications of 6‑Methyluracil: An Experimental and Quantum Chemical Study

ACS Omega, 2023
Svitlana V. Shishkina, Anna M. Shaposhnik, Victoriya V. Dyakonenko, Vyacheslav M. Baumer, Vitalii V. Rudiuk, Igor B. Yanchuk, Igor A. Levandovskiy   +6 more
doaj   +1 more source

Broad Perfect Transparent Band in Asymmetric Photonic Crystals with Graded-Index Films. [PDF]

Micromachines (Basel)
Zhang C, Wei Q, Zhang X, Sun W, Li X, Liu A, Du G.   +6 more
europepmc   +1 more source