Results 131 to 140 of about 79,312 (169)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Logarithmic modified gamma distribution and its application to disability data in Saudi Arabia. [PDF]

Sci Rep
Al-Essa LA, Almazah MMA, Al-Shamiri MMA, Hamdoon FM.   +3 more
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Large language models accurately identify decision reasons in verbal reports. [PDF]

Proc Natl Acad Sci U S A
Fuławka K, Hertwig R, Wulff DU.
europepmc   +1 more source

Automating Chemical Reasoning in High‐Throughput Phase Identification With a Probabilistic, LLM‐Guided Framework

Advanced Science, EarlyView.
Autonomous laboratories can now synthesize materials faster than experts can interpret the resulting diffraction data. A probabilistic framework combines refinement‐fit metrics with large language model‐derived chemical reasoning to rank competing phase interpretations and flag those unsuitable for autonomous use.
Olympia Dartsi, Lauren N. Walters, Amalie E. Trewartha, Steven B. Torrisi, Amanda Volk, Liam Joyce, Gerbrand Ceder, Anubhav Jain   +7 more
wiley   +1 more source

Effect of sampling on the descriptive distributions of correlated random walks. [PDF]

J Math Biol
Bailey JD, Claridge J.
europepmc   +1 more source

Anisotropic Memristive Switching in NbOCl2 Enabled by Directional Oxygen Ion Migration

Advanced Science, EarlyView.
This study investigates strongly orientation‐dependent memristive switching in anisotropic NbOCl2, observed exclusively along the in‐plane c‐axis. The switching originates from direction‐selective oxygen‐ion migration and vacancy propagation that modulate the Pd/NbOCl2 Schottky barrier, enabling short‐term plasticity.
Caokun Wang, Yun Ji, Sanchali Mitra, Yufei Shi, Haofei Zheng, Yee Sin Ang, Kah‐Wee Ang   +6 more
wiley   +1 more source

Quantum Superpositions of Conscious States in a Minimal Integrated Information Model. [PDF]

Entropy (Basel)
McQueen KJ, Durham IT, Müller MP.
europepmc   +1 more source

Multitask Deep Learning Model for Predicting Lymph Node Metastasis and Disease‐Free Survival From Cytology Images in Bladder Cancer: A Multicenter Study With Pan‐Cytology Validation

Advanced Science, EarlyView.
Through self‐supervised pretraining and supervised fine‐tuning on large‐scale cytology image datasets, CytoNet predicts lymph node metastasis and survival. Across independent cohorts, this multitask framework demonstrates robust performance, improves risk stratification beyond radiological assessment, and provides interpretable evidence to support ...
Guibin Hong, Fan Jiang, Ye Xie, Xiaowei Huang, Runnan Shen, Yun Wang, Mengyi Zhu, Haoxuan Wang, Hongkun Yang, Yanxiao Nie, Zhen Lin, Rui Chen, Nengtai Ouyang, Tianxin Lin, Shaoxu Wu   +14 more
wiley   +1 more source

Kernel embeddings and the separation of measure phenomenon. [PDF]

Proc Natl Acad Sci U S A
Santoro LV, Waghmare KG, Panaretos VM.
europepmc   +1 more source