Results 141 to 150 of about 122,022 (267)

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

open access: yesAdvanced 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

A Modular Design of a Cholera Toxin B Subunit-Scaffolded Sub-Virion Nanoparticle Vaccine Against West Nile Virus. [PDF]

open access: yesMicrob Biotechnol
Byun H   +13 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

open access: yesAdvanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari   +5 more
wiley   +1 more source

Bond-centric modular design of protein assemblies. [PDF]

open access: yesNat Mater
Wang S   +15 more
europepmc   +1 more source

Insights into the modular design of kinase inhibitors and application to Abl and Axl. [PDF]

open access: yesRSC Med Chem, 2022
Phadke S   +7 more
europepmc   +1 more source

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

open access: yesAdvanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi   +3 more
wiley   +1 more source

New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design

open access: yesAdvanced Engineering Materials, EarlyView.
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare   +5 more
wiley   +1 more source

Reticulating node-linker-modulator chemical spaces for modular design of alkoxide-based glasses and liquids. [PDF]

open access: yesNat Commun
Liu Y   +14 more
europepmc   +1 more source

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