Results 211 to 220 of about 90,750 (294)

FAST EXPANSION INTO HARMONICS ON THE BALL. [PDF]

SIAM J Sci Comput
Kileel J, Marshall NF, Mickelin O, Singer A.   +3 more
europepmc   +1 more source

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

Advanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

Research on precision prediction of heavy-duty lathes based on hybrid PINNS neural network. [PDF]

Sci Rep
Wang R, Jing H, Yang M.
europepmc   +1 more source

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

Advanced 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, Kang Fu, Junjie Ding, Kai Sun, Peng Tan   +4 more
wiley   +1 more source

Approximation of Anisotropic Pair Potentials Using Multivariate Interpolation. [PDF]

J Phys Chem B
Fakhraei M, Kieslich CA, Howard MP.
europepmc   +1 more source

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

ICP-MS based seasonal and spatiotemporal evaluation of potentially toxic and major elements in surface waters of Akdağ National Park, Türkiye. [PDF]

Sci Rep
Karakuş Z, Kara R, Yalçın M, Yılmaz H, Kandır H, Fidan AF.   +5 more
europepmc   +1 more source

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Learning potential energy surfaces of hydrogen atom transfer reactions in peptides.

Digit Discov
Neubert M, Reiser P, Gräter F, Friederich P.   +3 more
europepmc   +1 more source

Placido Sub-Pixel Edge Detection Algorithm Based on Enhanced Mexican Hat Wavelet Transform and Improved Zernike Moments. [PDF]

J Imaging
Wang Y, Liang J, Xiao Y, Liu X, Li J, Cui G, Zhang Q.   +6 more
europepmc   +1 more source