Results 181 to 190 of about 1,153,224 (274)

Density of States and Binding Energy Informatics for Exploring Early Disease Detection in MOF‐Metal Oxide Chemiresistive Sensors

open access: yesAdvanced Theory and Simulations, EarlyView.
Binding energy and electronic structure calculations are used to assess the ability of metal–organic framework (MOF)‐TiO2 composite materials to detect volatile organic compounds found in human breath. Electronic structure changes are measured by comparing density of states profiles using Wasserstein distances.
Maryam Nurhuda   +3 more
wiley   +1 more source

FMint: Bridging Human Designed and Data Pretrained Models for Differential Equation Foundation Model for Dynamical Simulation

open access: yesAdvanced Theory and Simulations, EarlyView.
FMint is introduced as a multi‐modal foundation model that integrates human‐designed solvers and data‐driven methods for fast, accurate simulation of dynamical systems. FMint leverages in‐context learning within a transformer‐based framework to refine coarse numerical solutions.
Zezheng Song, Jiaxin Yuan, Haizhao Yang
wiley   +1 more source

Mechanochemistry: Fundamental Principles and Applications

open access: yesAdvanced Science, EarlyView.
In this review, the physicochemical principles of mechanochemistry are first clarified. Based on this foundation, the research basis and cutting‐edge scientific achievements in four areas are introduced: solid‐state organic chemistry, polymers, interface science, and biomechanochemistry.
Liang Dong   +4 more
wiley   +1 more source

Interpretable Machine‐Learning and Big Data Mining to Predict the CO2 Separation in Polymer‐MOF Mixed Matrix Membranes

open access: yesAdvanced Science, EarlyView.
To explore the structure‐property relationships of MMM (Mixed Matrix Membranes), the big data mining is employed and a transfer learning model is trained for predicting and selecting the optimal MMM materials. It achieves fast computation for the separation of CO2 in MMM.
Hao Wan   +11 more
wiley   +1 more source

Activation of Glutamatergic Neurons in the Supramammillary Nucleus Promotes the Recovery of Consciousness under Sevoflurane Anesthesia

open access: yesAdvanced Science, EarlyView.
Selective lesioning of SuM glutamatergic neurons promoted the induction of and delayed emergence from sevoflurane anesthesia and increased sevoflurane sensitivity. Optogenetic stimulation of SuM glutamatergic neurons or the SuM‐MS projection promoted behavioral arousal and cortical activation under steady‐state sevoflurane anesthesia and reduced the ...
Jiayan Li   +8 more
wiley   +1 more source

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