Related papers: Fitting potential energy surface of reactive syste…
Although unstable, the Si(337) orientation has been known to appear in diverse experimental situations such as the nanoscale faceting of Si(112), or in the case of miscutting a Si(113) surface. Various models for Si(337) have been proposed…
Analyzing large datasets to select optimal features is one of the most important research areas in machine learning and data mining. This feature selection procedure involves dimensionality reduction which is crucial in enhancing the…
We propose a general design strategy based on genetic optimization to realize asymmetric reflectivity in periodic and non-periodic planar structures containing dielectric and gain-loss layers. By means of an optimization algorithm, it is…
We present a combination of the incremental expansion of potential energy surfaces (PESs), known as n-mode expansion, with the incremental evaluation of the electronic energy in a many-body approach. The application of semi-local…
Reconfigurable intelligent surface (RIS) is a type of wireless communication technology that uses a reconfigurable surface, such as a wall or building that is able to adjust its properties by an integrated optimization algorithm in order to…
An innovative strategy for the optimal design of planar frames able to resist to seismic excitations is here proposed. The procedure is based on genetic algorithms (GA) which are performed according to a nested structure suitable to be…
Energy harvesting can enable a reconfigurable intelligent surface (RIS) to self-sustain its operations without relying on external power sources. In this paper, we consider the problem of energy harvesting for RISs in the absence of…
The rotatable reconfigurable intelligent surface (RIS) can enhance mobile edge computing (MEC) performance by optimizing its orientation to improve the gain of received and transmitted signals. This correspondence investigates a rotatable…
A bottleneck for multi-timescale dynamics is the computation of the potential energy surface (PES). We explore the use of genetic programming (GP) to symbolically regress a mapping of the saddle-point barriers from only a few calculated…
This paper describes a new method for the synthesis of planar antenna arrays using fuzzy genetic algorithms (FGAs) by optimizing phase excitation coefficients to best meet a desired radiation pattern. We present the application of a…
This work considers the problem of energy efficiency maximization in a RIS-based communication link, subject to not only the conventional maximum power constraints, but also additional constraints on the maximum exposure to electromagnetic…
This paper deals with a method for solving Poisson Equation (PE) based on genetic algorithms and grammatical evolution. The method forms generations of solutions expressed in an analytical form. Several examples of PE are tested and in most…
The optimized effective potential (OEP) method is a promising technique for calculating the ground state properties of a system within the density functional theory. However, it is not widely used as its computational cost is rather high…
This paper proposes a novel computationally efficient algorithm for optimal sizing of Battery Energy Storage Systems (BESS) considering renewable energy bidding strategies. Unlike existing two-stage methods, our algorithm enables the…
A new analytical potential energy surface (PES) has been constructed for H$_2^+$-He using a reproducing kernel Hilbert space (RKHS) representation from an extensive number of $ab initio$ energies computed at the multi-reference and full…
PET requires accurate, precise, and efficient scatter correction techniques. Conventional scatter estimation typically relies on tail-fitted single-scatter simulation (SSS) strategy. However, the accuracy of tail-fitted SSS is limited, for…
We present a spectral finite-element formulation of the optimized effective potential (OEP) method for atomic structure calculations in the random phase approximation (RPA). In particular, we develop a finite-element framework that employs…
Calculations of transition intensities for small molecules like H$_2$O, CO, CO$_2$ based on s high-quality potential energy surface (PES) and dipole moment surface (DMS) can nowadays reach sub-percent accuracy. An extension of this…
The properties of lattice-based structures can be enhanced by varying their geometric parameters in a graded manner, and the gradation can be tailored to extremize a particular objective. In this manuscript, we propose a non-gradient-based…
Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…