Results 271 to 280 of about 4,617,846 (403)

Predicting Infrared Optical Properties of Materials Using Machine Learning Interatomic Potentials

open access: yesMaterials Genome Engineering Advances, EarlyView.
This work proposes a new fast computing framework for infrared reflectance spectra, MTP‐FIRE, based on machine learning potential, which can achieve the same accuracy as the existing first‐principles calculation, but can be two orders of magnitude faster on average.
Lianduan Zeng   +8 more
wiley   +1 more source

A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems

open access: green, 2016
Douglas G De Souza   +4 more
openalex   +1 more source

Marine trophic architecture and hidden ecological connections in the Strait of Magellan: keystone species and ecosystem resilience

open access: yesOikos, EarlyView.
Understanding the ecological implications of species coexistence is central to biodiversity studies and to identify environmental and anthropogenic drivers of ecosystem dynamics, where ecological network analysis offers valuable insights. This study examines the complexity, structure, and potential responses to disturbances of the Strait of Magellan's ...
Claudia D. Andrade   +4 more
wiley   +1 more source

Exploration of the Phytochemical and Antidiabetic Properties of Teucrium polium: A Natural Asset for Type 2 Diabetes Management

open access: yesChemistryOpen, EarlyView.
Teucrium polium shows antidiabetic activity with its phytochemical composition and biological activities. The essential oil is rich in carvacrol, thymol, γ‐terpinene, and o‐cymene, while the aqueous and hydroethanolic extracts are characterized by poliumoside, verbascoside, isorhamnetin‐3‐O‐rutinoside, and apigenin‐7‐rutinoside. Antioxidant activity is
Hajar El Ouadni   +10 more
wiley   +1 more source

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