Results 81 to 90 of about 3,744,625 (291)

Monte Carlo simulation of a model of water [PDF]

Physical Review E, 2005
We simulate TIP3P water using a constrained Monte Carlo algorithm to generate electrostatic interactions eliminating the need to sum over long ranged Coulomb interactions. We study discretization errors when interpolating charges using splines and Gaussians. We compare our implementation to molecular dynamics and Brownian dynamics codes.
openaire   +3 more sources

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source

Load Distributing Metamaterials Via Discrete Optimization

Advanced Functional Materials, EarlyView.
Mechanical metamaterials are computationally optimized to homogenize transmitted forces by minimizing the spread of reaction forces. The resulting architectures transform localized loading into broader, more uniform force distributions and experimentally demonstrate robust load spreading under quasi‐static and impact loading.
Andrea Detry, Hannes Holey, Raja Zulkarnain, Roberto Guerra, Ilaria Papa, Michael Zaiser, Stefano Zapperi   +6 more
wiley   +1 more source

Analysing multi-level Monte Carlo for options with non-globally Lipschitz payoff [PDF]

, 2009
Giles (Multilevel Monte Carlo path simulation Operations Research, 2008; 56:607-617) introduced a multi-level Monte Carlo method for approximating the expected value of a function of a stochastic differential equation solution.
Higham, Desmond J., Mao, Xuerong, Giles, Michael B.   +2 more
core   +2 more sources

Spatially Regulated Silicon Clusters in Trimodal Composite Anodes for High‐Energy Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A trimodal anode architecture spatially regulates silicon clusters within confined interstitial environments formed by graphite and contorted hexabenzocoronene. This confinement suppresses silicon aggregation and localized stress while enabling efficient Li‐ion transport, achieving high‐capacity, stable lithium‐ion batteries.
Jeongmi Joo, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Hyunji Cha, Jimin Han, Ji‐Su Lim, Dae Hyeon Kwon, Won‐Jin Kwak, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +11 more
wiley   +1 more source

Designing Vanadium‐Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning

Advanced Functional Materials, EarlyView.
This review establishes structure‐property‐mechanism relationships across six modification strategies for V‐based oxide water‐splitting electrocatalysts: lattice engineering, heteroatom doping, interface engineering, carbon‐based hybridization, morphology engineering, and surface reconstruction and pre‐catalyst design, where dissolution is reframed as ...
Youness El Issmaeli, Amina Lahrichi, Hoje Chun, Rafael Gómez‐Bombarelli, Bruno G. Pollet   +4 more
wiley   +1 more source

Monte Carlo Simulation for Econometricians

Foundations and Trends® in Econometrics, 2012
Many studies in econometric theory are supplemented by Monte Carlo simulation investigations. These illustrate the properties of alternative inference techniques when applied to samples drawn from mostly entirely synthetic data generating processes. They should provide information on how techniques, which may be sound asymptotically, perform in finite ...
openaire   +3 more sources

Architecture‐Driven Functional Coupling in Vertically Aligned Nanocomposites

Advanced Functional Materials, EarlyView.
Vertically aligned nanocomposites define a growth‐engineered architecture in which vertical interfaces, strain fields, defect pathways, and phase connectivity are created simultaneously. This review shows how these architectural features couple ferroic, optical, ionic, electrochemical, and device responses, establishing design rules and open challenges
Md Shatil Islam‐Shanto, Javier Zamudio‐García, Abraham Sánchez‐Caballero, David Marrero‐López, Vincenzo Esposito   +4 more
wiley   +1 more source

Monte Carlo and analytic simulations in nanoparticle-enhanced radiation therapy

International Journal of Nanomedicine, 2016
Autumn D Paro,1 Mainul Hossain,2 Thomas J Webster,1,3,4 Ming Su1,4 1Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 2NanoScience Technology Center and School of Electrical Engineering and Computer Science, University of ...
Paro AD, Hossain M, Webster TJ, Su M
doaj  

Hopping‐Mediated Zero‐Bias Photocharge Retention in Solution‐Processed Van Der Waals Heterostructures

Advanced Functional Materials, EarlyView.
Liquid–liquid interface assembly enables the fabrication of solution‐processed MoS2 and WSe2 centimeter‐scale, nanometer‐thick type‐II heterostructures on paper. Interfacial charge separation and hopping‐limited recombination produce rectification and persistent photocharge retention at zero bias.
Aniello Pelella, Andrea Sessa, Yi‐Chen Tsai, Xuzhao Liu, Abdul Mannan, George Greaves, Yahya Saboon, Ben Spencer, Antonio Di Bartolomeo, Cinzia Casiraghi, Jessica Boland, Alessandro Grillo   +11 more
wiley   +1 more source