Integrating Low-Cost xTB Electronic Priors for Predicting Electronic and Excited-State Properties of Organic Conjugated Molecules. [PDF]
Zeng M, Huai L, Liu T, Liu Y, Jiang X.
europepmc +1 more source
This article explores the transformative potential of symbolic artificial intelligence (AI) in the field of materials science, particularly in leveraging experimental data. The article presents several symbolic AI models and discusses their applications in materials science.
Ahmed Amrani +7 more
wiley +1 more source
Educational Effects of Electronic Documents and Videos on Parents' Responses to Acute Illness in Young Children: A Randomized Controlled Trial. [PDF]
Sato Y, Sumiyoshi T, Akazawa K.
europepmc +1 more source
Gallium microalloying redirects interfacial reactions in low‐temperature Bi–Sn solders from Cu–Sn toward Cu–Ga intermetallic formation. The resulting Cu–Ga layer suppresses intermetallic growth during thermal aging, alters fracture pathways, and improves interfacial stability.
Iva Králová +6 more
wiley +1 more source
Graphene quantum dot-integrated anodes for lithium-ion batteries: electronic structure, interphase evolution, and multiscale design. [PDF]
Di L +9 more
europepmc +1 more source
Investigating the Low‐Temperature Phase Stability of the Binary Ta–W System
Atomistic simulations show that the binary Ta–W system forms ordered intermetallic phases, B2‐TaW and D03‐TaW3, as 0 K ground states. Configurational entropy, however, lowers the free energy of the disordered bcc solid solution, which becomes the stable phase above about 400 K.
Klemens Lechner +7 more
wiley +1 more source
Ta-induced electronic reconstruction in CaSiO<sub>3</sub>: wide-band-gap modulation, emergent metallic behavior, and multifunctional response from first-principles. [PDF]
Rafiq Q +5 more
europepmc +1 more source
Toward Full Interoperability in Materials Science: Integrating Workflows With Knowledge Graphs
The connection of conceptual workflow design, portable execution, and ontology‐based semantics leading to provenance‐rich knowledge graphs are main contributors to interoperability in materials science and a prerequisite to AI‐assisted orchestration and for interoperable Materials Acceleration Platforms.
Jan Janssen +14 more
wiley +1 more source

