Results 191 to 200 of about 2,884,026 (336)

Pure and Applied Mathematics [PDF]

open access: bronze, 2001
Enrique Castillo   +4 more
openalex   +1 more source

Crystal Structure Prediction of Cs–Te with Supervised Machine Learning

open access: yesAdvanced Theory and Simulations, EarlyView.
High‐throughput density functional theory calculations combined with machine learning models are employed to predict stable Cs– Te binary crystals. By systematically evaluating various structural descriptors and learning algorithms, the superiority of models based on atomic coordination environments is revealed.
Holger‐Dietrich Saßnick   +1 more
wiley   +1 more source

A Panorama of Mathematics: Pure and Applied

open access: yes, 2016
C. Fonseca   +3 more
semanticscholar   +1 more source

A Theoretical Investigation on Coupled Mass‐charge Transport in a Binary Fluid

open access: yesAdvanced Theory and Simulations, EarlyView.
This study presents a theoretical framework for coupled mass‐charge transport in binary fluids using molecular dynamics simulations. By deriving governing equations from conservation laws and Onsager's theory, the approach introduces generalized diffusivity and electrostatic friction terms.
Antonio Cappai   +3 more
wiley   +1 more source

The Frequency‐Domain Lattice Boltzmann Method (FreqD‐LBM): A Versatile Tool to Predict the QCM Response Induced by Structured Samples

open access: yesAdvanced Theory and Simulations, EarlyView.
FreqD‐LBM simulates the oscillatory flow at the surface of a QCM‐D resonator in the presence of structured adsorbates. It derives shifts of frequency and bandwidth (equivalent to dissipation) on different overtones. Applications include rough surfaces, adsorbed rigid particles, adsorbed viscoelastic particles, spheres floating freely above the surface,
Diethelm Johannsmann   +5 more
wiley   +1 more source

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