Results 151 to 160 of about 728 (237)

GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP

open access: yesMaterials Genome Engineering Advances, Volume 4, Issue 2, June 2026.
GPUMDkit is a comprehensive and user‐friendly toolkit for GPUMD and NEP programs, integrating format conversion, structure sampling, property calculation, and visualization into a unified interface, substantially lowering the barrier to entry for machine‐learning molecular dynamics simulations with GPUMD and NEP.
Zihan Yan   +22 more
wiley   +1 more source

Multi-Omics Characterization of Inflammatory Bowel Disease-Induced Hyperplasia/Dysplasia in the Rag2-/-/Il10-/- Mouse Model. [PDF]

open access: yesInt J Mol Sci, 2020
Han Q   +7 more
europepmc   +1 more source

Bending Analysis of Thickness‐ and Shear‐Deformable Materially Imperfect Composite Shells With von Kármán‐Type Geometric Nonlinearities

open access: yesInternational Journal of Mechanical System Dynamics, Volume 6, Issue 2, Page 169-186, June 2026.
ABSTRACT Geometrically nonlinear static analysis of materially imperfect composite doubly curved shells is investigated via the generalised differential quadrature method. The effects of both shear and thickness deformation are considered through a thickness‐ and shear‐deformable third‐order theory formulated in curvilinear coordinates, while the ...
Behrouz Karami   +3 more
wiley   +1 more source

PhenoModel: A multimodal phenotypic drug design foundation model for discovering novel potential inhibitors of multiple cancer cells. [PDF]

open access: yesActa Pharm Sin B
Wang S   +14 more
europepmc   +1 more source

First‐Principles Design of Room Temperature Ferromagnetic Metallic Rare‐Earth Zintl Compounds AB2C2 (A = Ce, Pr, Nd; B = Li; C = Sb) for Next‐Generation Spintronic and Magneto‐Electronic Applications

open access: yesChemistryOpen, Volume 15, Issue 6, June 2026.
DFT calculations (FPLAPW+GGA+U) on tetragonal AB2C2 (A=ce, pr, Nd; B=Li; C=sb) zintl compounds reval ferromagnetic metallic ground states with curie temperature exceeding 300K (up to 1389K for NdLi2Sb2) identifying these materials as promising candidates for spin‐polarized current sources in next generation spintronic devices.
Hayat Ullah   +7 more
wiley   +1 more source

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