Search results for "Computational Mathematic"
showing 10 items of 987 documents
Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on m…
2017
We re-investigate the image charge model of Iori and Corni (Iori and Corni, J. Comput. Chem. 2008, 29, 1656). We find that a simple symmetrization of their model allows to obtain quantitatively correct results for the electrostatic interaction of a water molecule with a metallic surface. This symmetrization reduces the magnitude of the electrostatic interaction to less than 10% of the total interaction energy. © 2017 Wiley Periodicals, Inc.
Optimal Heating of an Indoor Swimming Pool
2020
This work presents the derivation of a model for the heating process of the air of a glass dome, where an indoor swimming pool is located in the bottom of the dome. The problem can be reduced from a three dimensional to a two dimensional one. The main goal is the formulation of a proper optimization problem for computing the optimal heating of the air after a given time. For that, the model of the heating process as a partial differential equation is formulated as well as the optimization problem subject to the time-dependent partial differential equation. This yields the optimal heating of the air under the glass dome such that the desired temperature distribution is attained after a given…
Optimality of Increasing Stability for an Inverse Boundary Value Problem
2021
In this work we study the optimality of increasing stability of the inverse boundary value problem (IBVP) for the Schrödinger equation. The rigorous justification of increasing stability for the IBVP for the Schrödinger equation were established by Isakov [Discrete Contin. Dyn. Syst. Ser. S, 4 (2011), pp. 631--640] and by Isakov et al. [Inverse Problems and Applications, Contemp. Math. 615, American Math Society, Providence, RI, 2014, pp. 131--141]. In [Discrete Contin. Dyn. Syst. Ser. S, 4 (2011), pp. 631--640] and [Inverse Problems and Applications, Contemp. Math. 615, American Math Society, Providence, RI, 2014, pp. 131--141], the authors showed that the stability of this IBVP increases …
Spatiotemporal hotspots analysis for exploring the evolution of diseases: An application to oto-laryngopharyngeal diseases
2013
Abstract View references (14) This paper presents a spatiotemporal analysis of hotspot areas based on the Extended Fuzzy C-Means method implemented in a geographic information system. This method has been adapted for detecting spatial areas with high concentrations of events and tested to study their temporal evolution. The data consist of georeferenced patterns corresponding to the residence of patients in the district of Naples (Italy) to whom a surgical intervention to the oto-laryngopharyngeal apparatus was carried out between the years 2008 and 2012
Fuzzy Methods and Approximate Reasoning in Geographical Information Systems
2014
This issue has been dedicated to the usage of fuzzy logic in the context of Geographical Information Systems (GIS) and were receveid the following papers whose contents are described below: - in the paper of A. Hofmann, S. Hoskova-Mayerova, and V. Talhofer, the authors use a GIS tool which is useful to study the influence of geographic and climatic factors on the terrain passability of armed forces and the Integrated Rescue System. - In the first paper of S. Sessa and F. Di Martino, the authors propose the usage of the well known Extended Gustafson-Kessel clustering method, encapsulated in a GIS tool, for detecting hotspots in spatial analysis. The data consist of geo-referenced patterns co…
Special Issue on Computational Intelligence and Nature-Inspired Algorithms for Real-World Data Analytics and Pattern Recognition
2018
This special issue of Algorithms is devoted to the study of Computational Intelligence and Nature-Inspired Algorithms for Real-World Data Analytics and Pattern Recognition. The special issue considered both theoretical contributions able to advance the state-of-the-art in this field and practical applications that describe novel approaches for solving real-world problems.
Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives
2009
The Silberstein model of the molecular polarizability of diatomic molecules, generalized by Applequist et al. for polyatomic molecules, is analyzed. The atoms are regarded as isotropically polarizable points located at their nuclei, interacting via the fields of their induced dipoles. The use of additive values for atom polarizabilities gives poor results, in some cases leading to artificial predictions of absorption bands. The molecular polarizability of methane and its derivative are computed. The agreement with experimental mean molecular polarizabilities is within 1–5%. A hypothesis is indispensable for a suitable representation of polarizability derivative.
Investigating Novice Developers’ Code Commenting Trends Using Machine Learning Techniques
2023
Code comments are considered an efficient way to document the functionality of a particular block of code. Code commenting is a common practice among developers to explain the purpose of the code in order to improve code comprehension and readability. Researchers investigated the effect of code comments on software development tasks and demonstrated the use of comments in several ways, including maintenance, reusability, bug detection, etc. Given the importance of code comments, it becomes vital for novice developers to brush up on their code commenting skills. In this study, we initially investigated what types of comments novice students document in their source code and further categoriz…
A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries
2021
Author(s): Gulizzi, Vincenzo; Almgren, Ann S; Bell, John B | Abstract: We present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an $hp$ adaptive mesh refinement ($hp$-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The $hp$-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a…
(p,2)-equations resonant at any variational eigenvalue
2018
We consider nonlinear elliptic Dirichlet problems driven by the sum of a p-Laplacian and a Laplacian (a (p,2) -equation). The reaction term at ±∞ is resonant with respect to any variational eigenvalue of the p-Laplacian. We prove two multiplicity theorems for such equations.