Results 71 to 80 of about 1,205,834 (315)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Smart detectors for Monte Carlo radiative transfer

, 2008
Many optimization techniques have been invented to reduce the noise that is inherent in Monte Carlo radiative transfer simulations. As the typical detectors used in Monte Carlo simulations do not take into account all the information contained in the ...
Baes, Baes, Baes, Baes, Bianchi, Bjorkman, Cappellari, Capuzzo-Dolcetta, Cashwell, Code, Ebeling, Ercolano, Ercolano, Gingold, Gingold, Gordon, Hockney, Huang, Jonsson, Lorenz, Lucy, Lucy, Maarten Baes, Matthews, Mattila, Monaghan, Monaghan, Monaghan, Niccolini, Richter, Sanders, Starck, Witt, Yusef-Zadeh   +33 more
core   +1 more source

Simulation of metal additive manufacturing microstructures using kinetic Monte Carlo

, 2017
Additive manufacturing (AM) is of tremendous interest given its ability to realize complex, non-traditional geometries in engineered structural materials.
T. Rodgers, J. Madison, V. Tikare
semanticscholar   +1 more source

Speckle‐Engineered Upconversion Amplification in Nanoemulsion‐Templated Hydrogel Microdomes

Advanced Functional Materials, EarlyView.
Nanoemulsion‐confined PEGDA microdomes generate speckle‐like excitation fields that strongly amplify upconversion luminescence upon dehydration, enabling filter‐free visible readout with reversible on–off switching. DMD‐based lithography yields scalable, shape‐programmable arrays for moisture‐responsive displays and optical encryption.
Chaeyeong Ryu, Byungcheon Yoo, Seunghun Lee, Hyungyo Jeong, Sanggyun Jeong, Heesu Cho, Jongwon Oh, Dahye Baek, Jongkyu Kim, Yubin Lee, Eunsu Gu, Dong‐Hwan Kim, Jung‐Hoon Park, Jiseok Lee   +13 more
wiley   +1 more source

Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics

Advanced Functional Materials, EarlyView.
Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann, Vincent Glauser, Ullrich Steiner, Matthias Saba   +3 more
wiley   +1 more source

A Mechanistic Blueprint for Fast, High‐Yield Green Scintillators Using Conjugated Polymer–Nanocrystal Composites

Advanced Functional Materials, EarlyView.
Conjugated polymer–nanocrystal composites are investigated to develop fast, high‐yield green scintillators. The polymer F8BT enables efficient, ultrafast emission, while blends with non‐emitting HfO2 nanocrystals and luminescent CdZnS/ZnS quantum dots reveal distinct sensitization mechanisms.
Chenger Wang, Emanuele Mazzola, Andrea Fratelli, Matteo L. Zaffalon, Francesco Bruni, Francesco Carulli, Xiaohe Zhou, Saptarshi Chakraborty, Leonardo Poletti, Luca Cappelletti, Francesco Meinardi, Francesca Rossi, Luca Gironi, Sergio Brovelli   +13 more
wiley   +1 more source

Localized Temperature Monitoring in Mouse Brain during Light Delivery via a Non‐Planar Tapered Fiber‐Integrated µRTD Sensor

Advanced Materials, EarlyView.
We report a multifunctional tapered optical fiber integrating a conformal micro‐resistance temperature detector (µRTD) for local, real‐time thermometry during optical stimulation. The platform combines light‐delivery and temperature sensing within a minimally invasive footprint, enabling detection of sub‐degree cortical heating under representative ...
Antonio Balena, Marco Bianco, Barbara Spagnolo, Muhammad Fayyaz Kashif, Alberto Bramati, Massimo De Vittorio, Ferruccio Pisanello   +6 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  

Validation of Compton Scattering Monte Carlo Simulation Models [PDF]

, 2014
Several models for the Monte Carlo simulation of Compton scattering on electrons are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. Some of these models are currently implemented in general
Batic, Matej, Hauf, Steffen, Hoff, Gabriela, Kuster, Markus, Pia, Maria Grazia, Saracco, Paolo, Weidenspointner, Georg   +6 more
core  

Beyond Earth: Resilience of Quasi‐2D Perovskite Solar Cells in Space

Advanced Materials, EarlyView.
In the article (DOI: 10.1002/adma.202520433), Christoph Putz and co‐workers demonstrate rigid quasi‐2D perovskite solar cells operating in low Earth orbit, delivering stable power for more than 100 days under real‐space conditions. In‐orbit performance is correlated with extensive ground‐based thermal and proton‐irradiation studies on rigid and ...
Christoph Putz, Lukas E. Lehner, Stepan Demchyshyn, Bekele Hailegnaw, Phillip Jahelka, Magdalena Breitwieser, Sercan Özen, Andrea Denker, Jürgen Bundesmann, Alina Hanna Dittwald, Dilara Karabulut, Philipp Tockhorn, Steve Albrecht, Felix Lang, Markus C. Scharber, Michael D. Kelzenberg, Harry A. Atwater, Martin Kaltenbrunner   +17 more
wiley   +1 more source