Results 21 to 30 of about 429 (159)
An exciting Approach to Theoretical Spectroscopy
Advanced Science, EarlyView.ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno +29 more
wiley +1 more source
Advanced Energy Materials, EarlyView.Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park +19 more
wiley +1 more source
Modeling and analysis of real-time software systems using UML [PDF]
, 2007 Real-Time Systems (RTS) should not only function correctly but should also satisfy time constraints. RTS include embedded systems, which are used nowadays in a variety of applications.
Gherbi, Abdelouahed
core
Advanced Intelligent Discovery, EarlyView.CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian +12 more
wiley +1 more source
The Interoperability Challenge in DFT Workflows Across Implementations
Advanced Intelligent Discovery, EarlyView.Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen +13 more
wiley +1 more source
Development of an Information System for Evaluating Web Application Security Quality [PDF]
Ревнюк О.А. Розробка інформаційної системи оцінювання якості захисту вебдодатків. – Кваліфікаційна наукова праця на правах рукопису. Дисертація на здобуття наукового ступеня доктора філософії за спеціальністю 122 «Комп’ютерні науки». – Тернопільський
Ревнюк, Олександр Андрійович +1 more
core +1 more source
Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter
Advanced Intelligent Discovery, EarlyView.We present X‐AutoMap, an autonomous X‐ray fluorescence mapping framework that integrates real‐time analysis with rule‐based computer vision to selectively target chemically relevant regions. By avoiding background‐dominated areas, the method reduces acquisition time by fourfold while enabling accurate particle‐level speciation.
Carlos Deleon +3 more
wiley +1 more source
Customizing UML with Stereotypes [PDF]
, 2003 The Unified Modeling Language (UML) is a visual modeling language for documenting and specifying software. It is gaining popularity as a language for a variety of purposes. It was designed as a result of a unifying activity in the last decade. Since this
Staron, Miroslaw
core
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Customizing UML with Stereotypes [Elektronisk resurs] [PDF]
, 2003 The Unified Modeling Language (UML) is a visual modeling language for documenting and specifying software. It is gaining popularity as a language for a variety of purposes. It was designed as a result of a unifying activity in the last decade. Since this
Staron, Miroslaw
core