Results 181 to 190 of about 51,498 (257)

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

open access: yesAdvanced Intelligent Discovery, EarlyView.
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin   +4 more
wiley   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced 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

On the Ability of Bismuth to Couple Weakly Coordinating Anions

open access: yesAngewandte Chemie, EarlyView.
Motivated by the growing number of catalytic processes based on high‐valent Bi, we investigated in silico the reductive elimination step responsible for the coupling of weakly coordinating anions. Relativistic contributions appeared to be decisive to the electronic description of the intermediates involved in this process.
Lucas Mele   +3 more
wiley   +2 more sources

Talk to Your Data: An Agentic Artificial Intelligence‐Driven Decision‐Support Framework for Prosumer Energy Optimization and Recommendations

open access: yesAdvanced Intelligent Systems, EarlyView.
An agentic AI‐driven decision‐support framework for prosumers is proposed, integrating PV generation, load profiling, and multihorizon optimization within a four‐agent architecture. The approach significantly reduces grid dependence, enhances self‐sufficiency and prevents system oversizing.
Adela BÂRA, Simona‐Vasilica OPREA
wiley   +1 more source

A Deep‐Red‐Absorbing Osmium(II) Complex as a Photosensitizer for Photodynamic Therapy Inducing Immunogenic Cell Death

open access: yesAngewandte Chemie, EarlyView.
A deep‐red‐excited osmium(II) photosensitizer (Os2) induces immunogenic cell death (ICD) under 740 nm irradiation and triggers robust anti‐tumor immune responses both in vitro and in vivo. ABSTRACT Immunogenic cell death (ICD), which converts tumor cells into their own vaccine, plays a pivotal role in the development of novel anticancer therapies. Here,
Yiyi Zhang   +12 more
wiley   +2 more sources

Better 10‐Year Cerebrovascular Outcome After Transplant Than on Standard‐Care in Sickle Cell Anemia: DREPAGREFFE Trial

open access: yesAmerican Journal of Hematology, EarlyView.
ABSTRACT Management of cerebral vasculopathy in sickle cell anemia (SCA) includes standard‐care, that is, chronic transfusion (CT) or hydroxyurea, and hematopoietic cell transplantation (HCT). DREPAGREFFE‐1 (December 2010/June 2013), a French multicenter trial, was the first prospective trial comparing standard‐care to match sibling donor (MSD)‐HCT in ...
Francoise Bernaudin   +40 more
wiley   +1 more source

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