Results 151 to 160 of about 584,217 (286)

Evaluation of extrapolation chamber response for surface and buildup dose assessment in radiotherapy photon beams using Monte Carlo simulations. [PDF]

Med Phys
Reis CQM, Muir BR, Nicolucci P, Rogers DWO.   +3 more
europepmc   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

Advanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

The Effects of Surface Texturing on the Oxidation of Metals Analyzed through Kinetic Monte Carlo Simulations. [PDF]

ACS Omega
Mysonhimer M, Samin AJ.
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Monte Carlo simulations of time-resolved blood flow index: times-of-flight beyond ∼1 ns are necessary for brain-dominated measurements. [PDF]

Neurophotonics
Hill DW, Behera A, Etard O, Zhang Y, Tran-Van-Minh A, Ruesch A, Ness L, Maine C, Salehi Lashkajani A, Parfentyeva V, Singh N, Antrobus A, Prudden R, Sanjurjo PV, Avtzi S, Dragojević T, Borycki D, Valley MT, Cooper RJ.   +18 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

Monte Carlo simulations of geometric deformation of Harrison-Anderson-Mick applicators used in intraoperative radiation therapy. [PDF]

J Appl Clin Med Phys
Insley B, Bocian B, Beddar S, Reiazi R, Jensen PJ, Martin-Paulpeter RM, Niedzielski JS, Flint D, Sawakuchi GO, Perles LA.   +9 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

Comparing effect latencies in the visual world paradigm: Monte Carlo simulations to assess resampling-based procedures. [PDF]

Behav Res Methods
Minor S.
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