A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam +5 more
wiley +1 more source
Investigation of surface subsidence behaviour in multi-slice longwall mining using numerical simulations in Barapukuria coal mine, Bangladesh. [PDF]
Zhang C +6 more
europepmc +1 more source
Memristors based on trimethylsulfonium (phenanthroline)tetraiodobismuthate have been utilised as a nonlinear node in a delayed feedback reservoir. This system allowed an efficient classification of acoustic signals, namely differentiation of vocalisation of the brushtail possum (Trichosurus vulpecula).
Ewelina Cechosz +4 more
wiley +1 more source
Best-first search-based approach for mining top-k closed frequent itemsets from uncertain databases. [PDF]
Le N, Vo H, Nguyen T.
europepmc +1 more source
Automated procedural analysis is recognized as one of the major game changers for robotic surgery. Meaning digital analysis needs to replace the manual assessments that set todays standard. Mechanical robotic‐instrument tracking enables the derivation of quantitative kinematic metrics that support behavior‐based workflow segmentation into distinct ...
Kateryna Pirkovets +4 more
wiley +1 more source
Upcycling Municipal Solid Incineration Fly Ash into Layered Double Hydroxide Nanomaterials: Heavy Metal Immobilization and Environmental Risk Assessment. [PDF]
Zhao Y, Wang X, Zhang Z, Xu M.
europepmc +1 more source
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley +1 more source
Antimicrobial Secondary Metabolites From Rhizosphere-Associated Streptomyces Species in Northern Nigerian Agricultural Soils: Genomic Mining and Bioactivity Assessment. [PDF]
Zakari DA +4 more
europepmc +1 more source
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Deep Learning‐Assisted Design of Mechanical Metamaterials
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong +5 more
wiley +1 more source

