Results 171 to 180 of about 2,342 (247)

Efficient Stepwise Screening of Inorganic Crystal Structure Databases for Novel Potassium‐Ion Conducting Chalcogenides

open access: yesMaterials Genome Engineering Advances, EarlyView.
A high‐throughput screening of the ICSD, combining of crystal‐chemical, Monte Carlo, and quantum‐chemical methods, was performed to identify novel potassium‐conducting chalcogenides. From 853 objects, the search was narrowed down to nine promising conductors exhibiting low cationic migration barriers (<1 eV) and high room‐temperatured ionic ...
Yawen Li   +9 more
wiley   +1 more source

GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP

open access: yesMaterials Genome Engineering Advances, EarlyView.
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

MatterMind: A User‐Friendly Material Design Platform Assisted by Large Language Model

open access: yesMaterials Genome Engineering Advances, EarlyView.
The lack of user‐friendly tool interfaces has restricted the popularization of data‐driven methods in scientific research. In this study, we present MatterMind, a user‐friendly, agentic interface that closes the loop between first‐principles computation, generative structure design, and large language model (LLM) analysis. ABSTRACT Machine learning and
Kaiyang Xu   +3 more
wiley   +1 more source

Leaf heat tolerance in a native Californian shrub responds in expected and unexpected ways to differences in range, season, and sunlight exposure

open access: yesPLANTS, PEOPLE, PLANET, EarlyView.
Earth's ecosystems are experiencing wide‐ranging impacts from global climate change, including increased average and extreme temperatures. These temperature shifts can drastically affect plant physiology, threatening the future of even common plant species. Here, we focus on photosynthetic function in a native Southern California shrub species.
Anna K. M. Bowen   +8 more
wiley   +1 more source

First genome sequence of a European Alternaria brassicae isolate and genes involved in early development of alternaria leaf spot on Brassica juncea

open access: yesPest Management Science, EarlyView.
This article reports the first genome sequence of a UK Alternaria brassicae isolate. Dual RNA‐sequencing profiling of A. brassicae‐infected Brassica juncea leaves identified differentially expressed genes involved in pathogenicity and host response pathways in moderately resistant Sej‐2 (2) and moderately susceptible Pusa Jaikisan cultivars.
Kevin M. King   +6 more
wiley   +1 more source

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