Results 131 to 140 of about 45,382 (265)

One Part Leaky Covers. [PDF]

Mathematica (N Y)
Cavalieri R, Markwig H, Schmitt J.
europepmc   +1 more source

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

Atomic Simulation of the Coalescence and Melting Process of Ag₃₀₉ and Cu₃₀₉ Clusters. [PDF]

Nanomaterials (Basel)
Shen H, Liu J, Zhang L.
europepmc   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

Advanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning, Lu Lu, Sophie Leanza, Ruike Renee Zhao   +3 more
wiley   +1 more source

Algebraic Representation of Mitochondrial Dynamics. [PDF]

Bull Math Biol
Mostov R, Lewis G, Sturm G, Marshall WF.
europepmc   +1 more source

Ultra‐Radiostable Covalent Conformationally Interlocked Networks Enabling a Universal Radiometal‐Labeling Platform for Cancer Radioembolization

Advanced Science, EarlyView.
Conjugated poly(imide dioxime)‐based microspheres establish a radiometal coordination‐driven conformational interlocked network with ultra‐high radiostability. This platform enables low‐temperature, multi‐radionuclide labeling for SPECT/PET/MRI imaging and radionuclide therapy. Mechanistic insights from EXAFS and DFT reveal enhanced stability, while in
Xiao Xu, Zhenwen Zhao, Yangjie Wang, Zhigang Liu, Zhijie Liu, Xiaoling Li, Zhichen Mao, Lu Xu, Gan Lin, Gang Liu, Hongjuan Ma   +10 more
wiley   +1 more source

Degree sum condition for vertex-disjoint 5-cycles

Discussiones Mathematicae Graph Theory
Maoqun Wang, Jianguo Qian
doaj   +1 more source

Using MR-chordless circuits for efficient enumeration of autocatalytic cores in large chemical reaction networks. [PDF]

J Cheminform
Golnik R, Vassena N, Stadler PF, Gatter T, Gatter T.   +4 more
europepmc   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source