Editor-in-Chief: Stefan Spiegel, Deputy Editor: Sabine Bahrs
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Advanced Theory and Simulations, part of the prestigious Wiley Advanced portfolio, is a multidisciplinary journal publishing scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas.
With our broad scope, we offer a home for researchers in materials, chemistry, engineering, life sciences, medicine, and more to share interdisciplinary studies, traditional and emerging methods, and applied and fundamental perspective with predominantly theoretical or modelling approaches.
The Advanced portfolio from Wiley is a family of globally respected, high impact journals that disseminates the best science from well-established and emerging researchers so they can fulfill their mission and maximize the reach of their scientific discoveries.
On the Cover
Intrinsic magnetic ordering in two dimensions was discovered in 2017 when a single layer of CrI3 and two layers of CrGeTe3 were shown to be ferromagnetic. In the research article, Rhone, Trevor David and coworkers harness AI to identify new two-dimensional magnetic materials and predict their magnetic and thermodynamic properties.
Silver spheres represent transition metals. Yellow spheres represent the halogen atom: {Br, I}. Red spheres represent another halogen atom: {F, Cl}.
Articles
Solar Thermal Absorber Using Fe2O3-SnSe2-Ti-Layered Structure Based on Graphene Material
- 2 October 2023
Graphical Abstract
The highly efficient absorber over a wavelength range of 0.2–3 µm is presented. The absorption percentage is above 90% for 2800 nm, more than 95% is in the half region of 0.2 and 2 µm (1800 nm), and the perfect absorption result of 97% is between 0.2 and 1.5 µm (1300 nm), respectively. Graphene-based results and AM 1.5 results are also investigated. The wide angle of incidence is also investigated.
Strong Electron–Phonon and Phonon–Phonon Interactions Lead to High Thermoelectric Performances in Lead Phosphorene via Symmetry Breaking
- 30 September 2023
Graphical Abstract
The work highlights the dominance of intravalley scattering over intervalley scattering in electron relaxation times. Group theory analysis reveals restrictions on certain phonons in assisting electron transition, resulting in improved carrier mobility in a-PbP. Ultra-low lattice thermal conductivities are observed in PbP monolayers. Promising thermoelectric figure of merit values are predicted for PbP monolayers at room temperature.
Design of Wide-Beam Leaky-Wave Antenna Arrays Based on the Bilinear Transformation of IIR Digital Filters and the Z Transform
- 29 September 2023
Graphical Abstract
Approach based on the relationship between the zeros and poles of a discrete linear time-invariant (LTI) low-pass filter designed using Butterworth and Chebyshev type I polynomials and the parameters of a leaky-wave antenna (LWA) array. The method is able to produce a pass-band without ripple, joint control on the pass-band and rejection-band, as well as a high attenuation level in the rejection-band.
Dynamic Evacuation Routes Navigation for Passenger Ship Fire Based on Intelligence Algorithms
- 26 September 2023
Graphical Abstract
To explore fire hazards and provide real-time path navigation services for passenger ships, this study proposes an improved artificial fish swarm algorithm to give the optimal evacuation route for evacuees when a passenger ship is on fire. The Visualized Evacuation Guidance System is developed to provide the optimal route for evacuees on the passenger ship.
Theoretical and Experimental Research on Active Suspension System with Time‐Delay Control
- 25 September 2023
Graphical Abstract
This paper explores the impact of time delay on suspension systems, affecting performance and stability. By employing time-delay displacement feedback, vehicle body vibration is suppressed. The study combines theory and experiments to demonstrate the superiority of time-delay control under external excitation. Bench tests validate the research, providing valuable insights for designing and applying active suspension controllers.
The following is a list of the most cited articles based on citations published in the last three years, according to CrossRef.
A Theoretical Framework for Ratiometric Single Ion Luminescent Thermometers—Thermodynamic and Kinetic Guidelines for Optimized Performance
- 12 October 2020
Graphical Abstract
Luminescent nanothermometers are an emerging class of materials with applications ranging from biology over electronics to catalysis and physics. In this work, a first theoretical framework for single ion luminescent thermometers is presented that offers simple guidelines for highest precision of a thermometer. These guidelines aim to help in targeted design of future nanothermometers and also offer fundamental understanding thereof.
The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning
- 11 February 2019
Graphical Abstract
The hiphive package is a powerful tool for the efficient extraction of high-order force constants. It thereby enables modeling the thermodynamic and vibrational properties of, for example, large, low-symmetry systems and strongly anharmonic materials. This ultimately includes, for example, temperature-dependent phonon dispersions, life times, and the thermal conductivity.
A Deep Learning Approach to Identify Local Structures in Atomic‐Resolution Transmission Electron Microscopy Images
- 3 July 2018
Graphical Abstract
Neural networks can be a valuable tool for automatic analysis of high-resolution transmission electron micrographs and image sequences. Neural networks trained entirely on simulated images can reliably identify atoms in experimental images, with a performance equal to a trained microscopist. This is demonstrated on single sheets of graphene and on metallic nanoparticles on oxide support.
Topology Optimization of Photonic and Phononic Crystals and Metamaterials: A Review
- 26 April 2019
Graphical Abstract
Topology optimization originated from structural design provides an intelligent approach for engineering structural materials with desired properties, which has attracted considerable attention in the past years. This review summarizes the recent development of topology optimization in designing photonic crystals, phononic crystals, and metamaterials for manipulating the propagation of waves.
ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
- 2 May 2019
Graphical Abstract
The integrated cluster expansion toolkit (ICET) package is a powerful tool for the construction and sampling of alloy cluster expansions. ICET is largely written in Python for easy integration in comprehensive workflows. The package enables training using a variety of machine learning algorithms and includes extensive functionality for sampling cluster expansions by, for example, Monte Carlo simulations.
