Results 131 to 140 of about 2,645,187 (293)

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +1 more source

Nanoscale Optical Inhomogeneities From Compositional Segregation Within Individual GaN‐on‐Si Quantum Wells

open access: yesAdvanced 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   +12 more
wiley   +1 more source

Cation Diffusion‐Mediated Displaced Reaction‐Transformation in Green Steelmaking

open access: yesAdvanced Science, EarlyView.
The removal of O lattice atoms by environmental H2 at the surface of Fe3O4 results in Fe enrichment, driving the inward diffusion of Fe cations into the bulk. Through hopping between unoccupied and initially occupied sites, cation diffusion triggers a spatially displaced reaction‐transformation and drives subsequent dynamic phase transformations and ...
Guangyi Guo   +7 more
wiley   +1 more source

Polydopamine Nanoparticle‐Mediated Precise Near‐Infrared Optical Stimulation for Cognitive Enhancement

open access: yesAdvanced Science, EarlyView.
Polydopamine nanoparticles enable a precise, non‐genetic, and transcranial neuromodulation strategy via near‐infrared photothermal stimulation. By activating TRPV1 channels, this approach specifically enhances hippocampal gamma oscillations, thereby rescuing spatial memory deficits in models of perioperative neurocognitive disorder.
Yan‐Bo Zhou   +10 more
wiley   +1 more source

Multilevel Monte Carlo simulation in options pricing [PDF]

open access: yes, 2014
>Magister Scientiae - MScIn Monte Carlo path simulations, which are used extensively in computational -finance, one is interested in the expected value of a quantity which is a functional of the solution to a stochastic differential equation [M.B. Giles,
Kazeem, Funmilayo Eniola
core  

A Phosphorylation‐Induced Micellization Switch in the Low‐Complexity Domain of TDP‐43

open access: yesAdvanced Science, EarlyView.
Phosphorylation of TAR DNA‐binding protein's 43 kDa (TDP‐43) low‐complexity domain by casein kinase 1 delta (CK1δ) acts as a molecular switch, redirecting its self‐assembly from macroscopic phase separation toward finite‐sized, spherical block‐copolymer micelles of ∼30 nm.
Rodrigo F. Dillenburg   +16 more
wiley   +1 more source

Introduction to Monte Carlo simulation [PDF]

open access: yes2008 Winter Simulation Conference, 2008
openaire   +2 more sources

Delayed Rejection Variational Monte Carlo [PDF]

open access: yes
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   +3 more
core  

Maximizing Nanoscale Disorder in Block Copolymers for Orientation‐Independent SERS Platform Toward Non‐Invasive Diagnostics

open access: yesAdvanced Science, EarlyView.
Maximizing Nanoscale Disorder in Block Copolymers for Orientation‐Independent SERS Platform toward Non‐Invasive Diagnostics is a nature‐inspired strategy that engineers controlled randomness within block copolymer lamellae to achieve optical isotropy without compromising nanoscale periodicity.
Jin Man Kim   +6 more
wiley   +1 more source

Molecular Dynamics‐Guided Sterol Engineering of mRNA‐Lipid Nanoparticles Reprograms Biodistribution and Enhances Spleen‐Selective Immunity

open access: yesAdvanced Science, EarlyView.
Sterol engineering enables precise control of mRNA lipid nanoparticles by tuning membrane organization. Replacing cholesterol with bile acid‐derived sterols redirects protein expression from the liver to the spleen. Notably, CA‐20 LNP enhances antigen‐specific immune responses while exhibiting a favorable safety profile, highlighting sterols as a ...
Sanghyuk Jeon   +27 more
wiley   +1 more source

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