Results 51 to 60 of about 577,814 (285)

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

Advanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar, Matthew Large, Andrea Ciavatti, Laura Basiricò, Beatrice Fraboni, Paul J. Sellin, Attila J. Mozer, Marco Petasecca, Matthew J. Griffith   +8 more
wiley   +1 more source

The Coupled Electronic-Ionic Monte Carlo Simulation Method [PDF]

, 2002
Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies.
B. L. Hammond Jr., B. Militzer, B. Militzer, C. Lin, C. Pierleoni, D. Hohl, D. M. Ceperley, D. M. Ceperley, D. M. Ceperley, D. M. Ceperley, D. M. Ceperley, D. M. Ceperley, D. Marx, D. Saumon, D. Saumon, D. Saumon, I. F. Silvera, J. C. Grossman, J. Kohanoff, J. Kohanoff, M. C. Payne, M. Dewing, M. E. Tuckerman, M. Sprik, N. C. Holmes, N. Metropolis, P. Diep, P. Diep, P. J. Reynolds, R. Car, V. Natoli, V. Natoli, W. J. Nellis, W. M. C. Foulkes, Y. Kwon, Y. Kwon   +35 more
core   +2 more sources

Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications

Advanced Functional Materials, EarlyView.
Quantum emitters in hexagonal boron nitride have emerged as a promising candidate for quantum information science. This review examines the fundamentals of these quantum emitters, including their level structures, defect engineering, and their possible chemical structures.
Thi Ngoc Anh Mai, Md Shakhawath Hossain, Nhat Minh Nguyen, Yongliang Chen, Chaohao Chen, Xiaoxue Xu, Quang Thang Trinh, Toan Dinh, Toan Trong Tran   +8 more
wiley   +1 more source

Convergence of Monte Carlo Simulations to Equilibrium

, 2001
We give two direct, elementary proofs that a Monte Carlo simulation converges to equilibrium provided that appropriate conditions are satisfied. The first proof requires detailed balance while the second is quite general.Comment: 4 pages.
Narayan, Onuttom, Young, A. P.
core   +1 more source

Pentagonal 2D Altermagnets: Material Screening and Altermagnetic Tunneling Junction Device Application

Advanced Functional Materials, EarlyView.
From a database of 170 pentagonal 2D materials, 4 candidates exhibiting altermagnetic ordering are screened. Furthermore, the spin‐splitting and unconventional boundary states in the pentagonal 2D altermagnetic monolayer MnS2 are investigated. A MnS2‐based altermagnetic tunneling junction is designed and, through ab initio quantum transport simulations,
Jianhua Wang, Xingyue Yang, Zongmeng Yang, Jing Lu, Pin Ho, Wenhong Wang, Yee Sin Ang, Zhenxiang Cheng, Shibo Fang   +8 more
wiley   +1 more source

Monte Carlo methods for TMD analyses

EPJ Web of Conferences, 2015
Monte Carlo simulations are an indispensable tool in experimental high-energy physics. Indeed, many discoveries rely on realistic modeling of background processes.
Schnell Gunar
doaj   +1 more source

The Realization of Multidirectional, Free‐Standing 3D Plasmonic Nanostructures via 3D Nanoprinting: A Case Study of Fractal Antennas

Advanced Functional Materials, EarlyView.
Free‐standing plasmonic gold‐based fractal antennas are fabricated by 3D nanoprinting, employing focused electron beam induced deposition and an optimized purification method to remove carbon while conserving structural fidelity. Simulation and experiment show broadband plasmonic activity, including customizable polarizability, thereby paving the way ...
Verena Reisecker, Robert Winkler, Ulrich Hohenester, Evelin Fisslthaler, Daniel Knez, Gerald Kothleitner, Georg Haberfehlner   +6 more
wiley   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source

Determination of the basic timescale in kinetic Monte Carlo simulations by comparison with cyclic-voltammetry experiments

, 2004
While kinetic Monte Carlo simulations can provide long-time simulations of the dynamics of physical and chemical systems, it is not yet possible in general to identify the inverse Monte Carlo attempt frequency with a physical timescale.
Abou Hamad, Auer, Berthier, Berthier, Bowler, Brown, Buendía, Combe, Einstein, G. Brown, Hwang, I. Abou Hamad, Kang, Kolesik, Koper, Koper, Mitchell, Mitchell, Mitchell, Mitchell, Novotny, Nowak, Ocko, P.A. Rikvold, Press, Savitzky, Schmickler, Srinivasan, Taylor, Vetter, Vetter, Wandlowski, Wang   +32 more
core   +1 more source

Smarter Sensors Through Machine Learning: Historical Insights and Emerging Trends across Sensor Technologies

Advanced Functional Materials, EarlyView.
This review highlights how machine learning (ML) algorithms are employed to enhance sensor performance, focusing on gas and physical sensors such as haptic and strain devices. By addressing current bottlenecks and enabling simultaneous improvement of multiple metrics, these approaches pave the way toward next‐generation, real‐world sensor applications.
Kichul Lee, Osman Gul, Yeongjae Kwon, Jaeseok Jeong, Seokjoo Cho, Jihyeon Ahn, Jehee Yu, Cheolmin Kim, Donho Lee, Hyeonseok Han, Byeongju Lee, Jungrak Choi, Ji‐Hwan Ha, Yongrok Jeong, Kyungnam Kang, Ali Javey, Junseong Ahn, Inkyu Park   +17 more
wiley   +1 more source