Results 91 to 100 of about 1,160,391 (297)

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Monte Carlo Computability.

, 2017
We introduce Monte Carlo computability as a probabilistic concept of computability on infinite objects and prove that Monte Carlo computable functions are closed under composition. We then mutually separate the following classes of functions from each other: the class of multi-valued functions that are non-deterministically computable, that of Las ...
Vasco Brattka, Rupert Hölzl 0001, Rutger Kuyper   +2 more
openaire   +3 more sources

Emergent Spin Supersolids in Frustrated Quantum Materials

Advanced Materials, EarlyView.
This review highlights developments in the study of spin super‐solids in frustrated quantum materials. Advanced experimental characterizations and computational studies enable a comprehensive understanding of the driving mechanisms of spin super‐solidity in various layered transition‐metal compounds, bridging materials, experiments, and theory aspects.
Yixuan Huang, Seiji Yunoki, Sadamichi Maekawa   +2 more
wiley   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

First and second generation lookback and barrier options: enhancing pricing accuracy through Conditional Monte Carlo [PDF]

Risk Management Magazine
This paper addresses the challenges associated with pricing exotic options, specifically path-dependent ones, with a focus on the limitations of standard Monte Carlo simulations and the advantages provided by Conditional Monte Carlo methods, introduced
Pier Giuseppe Giribone, Federico Tropiano   +1 more
doaj   +1 more source

Magnetic DNA Origami Nanorotors

Advanced Materials, EarlyView.
Magnetic actuation is a powerful and broadly applicable actuation mechanism due to its programmability and compatibility with biological entities. Here we demonstrate magnetic DNA origami nanorotors (MADONAs) by assembling magnetic nanocubes on DNA origami.
Lennart J. K. Weiß, Florian Rothfischer, Yihao Wang, Christoph Pauer, Xin Yin, Kevin Lang, Rabia Amin, Thomas Tsalos, Susanne Kempter, Jan Lipfert, Tim Liedl, Friedrich C. Simmel, Joe Tavacoli, Aidin Lak   +13 more
wiley   +1 more source

Performance of Hamiltonian Monte Carlo and No-U-Turn Sampler for estimating genetic parameters and breeding values

Genetics Selection Evolution, 2019
Background Hamiltonian Monte Carlo is one of the algorithms of the Markov chain Monte Carlo method that uses Hamiltonian dynamics to propose samples that follow a target distribution.
Motohide Nishio, Aisaku Arakawa
doaj   +1 more source

Monte Carlo and Quasi-Monte Carlo for Statistics [PDF]

, 2009
This article reports on the contents of a tutorial session at MCQMC 2008. The tutorial explored various places in statistics where Monte Carlo methods can be used. There was a special emphasis on areas where Quasi-Monte Carlo ideas have been or could be applied, as well as areas that look like they need more research.
openaire   +1 more source

Unconventional Biexciton Dynamics in Superradiant Perovskite Quantum Dots Driven by Many‐Body Correlations

Advanced Materials, EarlyView.
Single‐particle spectroscopy and variational quantum Monte Carlo simulations reveal that strong many‐body correlations fundamentally alter biexciton radiative recombination in weakly confined CsPbBr3 quantum dots. Intra‐ and inter‐exciton correlations reverse the conventional lifetime hierarchy, yielding biexcitons with longer radiative lifetimes than ...
Chenglian Zhu, Jose L. Movilla, Petra Hoffmann, Ihor Cherniukh, Willem P. A. Verheijen, Leon G. Feld, Josep Planelles, Maryna I. Bodnarchuk, Simon C. Boehme, Juan I. Climente, Maksym V. Kovalenko, Gabriele Rainò   +11 more
wiley   +1 more source

Iterative Selection of DNA Nanostructures for Cellular Uptake

Advanced Materials, EarlyView.
DNA nanostructures are promising cell targeting delivery vehicles for therapeutics, but the targeting behavior is not fully understood. In this study, libraries of DNA nanostructures that can be amplified and sequenced are combined with cellular uptake as a selection pressure to iteratively refine DNA structures taken up in cells to better understand ...
Anjali Rajwar, Lisa Eichhorn, Jakub Palacka, Sandra Ly, Erik Benson   +4 more
wiley   +1 more source