Results 251 to 260 of about 4,875 (298)

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

open access: yesAdvanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán   +5 more
wiley   +1 more source

Hydrodynamical pathways in the phase change of real fluids.

open access: yes
Gallo M   +3 more
europepmc   +1 more source

CAP: Commutative algebra prediction of protein-nucleic acid binding affinities. [PDF]

open access: yesMach Learn Sci Technol
Zia M   +5 more
europepmc   +1 more source

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice. [PDF]

open access: yesSmall Methods
Re Fiorentin M   +8 more
europepmc   +1 more source

<i>De novo</i> acyl carrier proteins display structure-independent modification and sequence novelty. [PDF]

open access: yesRSC Chem Biol
Herrera MA   +7 more
europepmc   +1 more source

Data-driven universal insights into tumorigenesis via hallmark networks. [PDF]

open access: yesNPJ Syst Biol Appl
Wang J   +6 more
europepmc   +1 more source

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