Results 131 to 140 of about 1,160,391 (297)

Delayed Rejection Variational Monte Carlo [PDF]

A new acceleration algorithm to address the problem of multiple time scales in variational Monte Carlo simulations is presented. Core electrons usually require smaller time steps than valence electrons. After a first attempted move has been rejected, the
Bressanini Dario, Mira Antonietta, Morosi Gabriele, Tarasco Silvia   +3 more
core  

A methodological framework for Monte Carlo probabilistic inference for diffusion processes [PDF]

, 2009
The methodological framework developed and reviewed in this article concerns the unbiased Monte Carlo estimation of the transition density of a diffusion process, and the exact simulation of diffusion processes.
Papaspiliopoulos, Omiros
core  

Arterial Blood‐Mediated Deep‐Tissue Photoacoustic Oximetry

Advanced Science, EarlyView.
The arterial prior method (APM+) for photoacoustic oximetry is introduced, which leverages the high arterial blood oxygenation to calibrate the fluence at the artery and estimate the oxygenation of the surrounding tissue, thus circumventing the spectral coloring problem. APM+’s accuracy and consistency are shown in a series of phantom and in vivo human
Karteekeya Sastry, Junhao Zhu, Joshua Olick‐Gibson, Li Lin, Lei Li, Jigmi Basumatary, Yang Zhang, Lihong V. Wang   +7 more
wiley   +1 more source

Computing mean first exit times for stochastic processes using multi-level Monte Carlo [PDF]

, 2012
The multi-level approach developed by Giles (2008) can be used to estimate mean first exit times for stochastic differential equations, which are of interest in finance, physics and chemical kinetics.
Roj, Mikolaj, Higham, Desmond
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Nanoscale Optical Inhomogeneities From Compositional Segregation Within Individual GaN‐on‐Si Quantum Wells

Advanced Science, EarlyView.
This work visualizes local variations in luminescence and relates them to nanoscale chemical inhomogeneities in single InxGa1−xN quantum wells. We demonstrate that the elemental segregation is only inherent to quantum wells with high indium content. Density functional theory shows this to be the result of strain‐induced phase stabilization, explaining ...
Jing‐Yang Chung, Tara P. Mishra, Zackaria Mahfoud, Thomas E. Gage, Jianguo Wen, Katherine P. Rice, Isabelle Martin, Li Zhang, Govindo J. Syaranamual, Stephen J. Pennycook, Silvija Gradečak, Pieremanuele Canepa, Michel Bosman   +12 more
wiley   +1 more source

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

Advanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic, Cheng Hu, Yuhui Sun, Matthew J. Penna, Meisam V. Kiamahalleh, Wenrong Yang, Mark J. Biggs   +6 more
wiley   +1 more source

Enhanced Antibacterial Properties of Lyotropic Liquid Crystalline Nanoparticles via Curvature Modulation

Advanced Science, EarlyView.
Lipid nanostructured particles with increasing negative Gaussian curvature progress from vesicles to P‐cubosomes and D‐cubosomes. This curvature hierarchy enhances interaction with bacterial membranes, promotes membrane remodeling and leakage, and potentiates daptomycin activity against MRSA.
Xiangfeng Lai, Shuhong Wang, Chenguang Ding, Xenia Kostoulias, Anton P. Le Brun, Hsien‐Yi Hsu, Jhih‐Hang Jiang, Yajun Wang, Richard A. Strugnell, Anton Y. Peleg, Hsin‐Hui Shen   +10 more
wiley   +1 more source

Automation and Active Learning for the Multi‐Objective Optimization of Antibody Formulations

Advanced Science, EarlyView.
Successful antibody formulation necessitates balancing factors such as thermal stability, colloidal stability, and viscosity across a vast excipient design space. This work integrates robotic liquid handling, high‐throughput biophysical characterization, and multi‐objective Bayesian optimization in an iterative closed‐loop Design‐Build‐Test‐Learn cycle.
D. Christopher Radford, Matthew Tamasi, Elena Di Mare, Adam J. Gormley   +3 more
wiley   +1 more source

ESTIMAÇÃO DO PRÊMIO DE OPÇÕES ASIÁTICAS POR MONTE CARLO E QUASI-MONTE CARLO

Faces: Revista de Administração, 2012
O trabalho se situa no campo de estudo de métodos numéricos, em fi nanças, e tem por objetivo comparar a utilização dos modelos estocásticos de Monte Carlo e Quasi-Monte Carlo com Sequências de Halton, para o apreçamento de opções asiáticas, em uma série
Rafael Igrejas da Silva, Marcio Almeida de Assis, Antonio Carlos Figueiredo Pinto, Marcelo Cabus Klotzle, Leonardo Lima Gomes   +4 more
doaj  

Monte Carlo Techniques in Studying Robust Estimators [PDF]

Recent work on robust estimation has led to many procedures, which are easy to formulate and straightforward to program but difficult to study analytically.
David C. Hoaglin
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