Results 141 to 150 of about 190,737 (267)
Advanced Energy Materials, EarlyView.Oxygen substitution in NaTaOxCl6‐2x drives structural evolution from isolated [TaCl6]– octahedra, through oxygen‐bridged [Ta2OCl10]2– dimers, toward extended trans‐[TaO2Cl4]3– chain‐like arrangements. At intermediate compositions, zero‐dimensional corner‐sharing motifs are proposed to create a flexible, disordered framework that peaks ionic ...
Justin Leifeld +17 more
wiley +1 more source
Bayesian Active Learning for Optimization and Uncertainty Quantification in Protein Docking. [PDF]
J Chem Theory Comput, 2020 Cao Y, Shen Y.
europepmc +1 more source
Advanced Energy Materials, EarlyView.We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley +1 more source
Agribusiness, EarlyView.ABSTRACT This study investigates the financial literacy (FL) of Swedish farmers, its linkages to farmer characteristics, management accounting practices and farm outcomes by surveying Swedish Farm Accountancy Data Network farmers. Using item response theory, we expand the existing FL measurement specifically to the farming context, assess measurement ...
Uliana Gottlieb, Helena Hansson
wiley +1 more source
The Geography of Success: A Spatial Analysis of Export Intensity in the Italian Wine Industry
Agribusiness, EarlyView.ABSTRACT This paper investigates the paradox of how Italy's fragmented, SME‐dominated wine industry achieves global export success. Moving beyond purely firm‐centric explanations, we test whether export intensity is spatially dependent, clustering geographically in regional ecosystems.
Nicolas Depetris Chauvin, Jonas Di Vita
wiley +1 more source
Application of Bayesian Active Learning to the Estimation of Auditory Filter Shapes Using the Notched-Noise Method. [PDF]
Trends Hear, 2020 Schlittenlacher J, Turner RE, Moore BCJ.
europepmc +1 more source
AI in chemical engineering: From promise to practice
AIChE Journal, EarlyView.Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew +4 more
wiley +1 more source
Computational study of permeability in cardboard coating layers
AIChE Journal, EarlyView.Abstract We develop a virtual material structure model based on a combination of tessellations and Gaussian random fields for a coating layer of paperboard used for packaging and designed to facilitate printing on the surface. To fit the model to tomographic image data acquired using combined focused ion beam and scanning electron microscopy (FIB‐SEM),
Sandra Barman +6 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir +4 more
wiley +1 more source
The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers
Advanced Intelligent Discovery, EarlyView.We assess the maturity and integration readiness of key methodologies for Materials Acceleration Platforms, highlighting the need for dynamic workflow managers. Demonstrating this, we integrate PerQueue into a color‐mixing robot, showing how flexible orchestration improves coordination and optimization.
Simon K. Steensen +6 more
wiley +1 more source