Search results for "r software"
showing 10 items of 89 documents
OpenMolcas: From Source Code to Insight
2019
In this article we describe the OpenMolcas environment and invite the computational chemistry community to collaborate. The open-source project already includes a large number of new developments realized during the transition from the commercial MOLCAS product to the open-source platform. The paper initially describes the technical details of the new software development platform. This is followed by brief presentations of many new methods, implementations, and features of the OpenMolcas program suite. These developments include novel wave function methods such as stochastic complete active space self-consistent field, density matrix renormalization group (DMRG) methods, and hybrid multico…
Fuzzy formalizations of cognitive distance
1992
Spatial training process allows more and more precise informations to be collected and memorized. The aim of this article is to describe a three steps training process based on three fuzzy formalizations of cognitive distance associated to three different types of informations : (1) expression of a linguistic relative distance based on fuzzy relation of closeness or/and remoteness, (2) expression of a linguistic absolute distance expressed by primary linguistic terms like short or long and (3) expression of a fuzzy metric absolute distance. A fourth part is devoted to expression of precise correspondance rule between linguistic and metric opinions described below.
Robustly correlated key‐medical image for DNA‐chaos based encryption
2021
Abstract Medical images include confidential and sensitive information about patients. Hence, ensuring the security of these images is a crucial requirement. This paper proposes an efficient and secure medical image encryption‐decryption scheme based on deoxyribonucleic acid (DNA), one‐dimensional chaotic maps (tent and logistic maps), and hash functions (SHA‐256 and MD5). The first part of the proposed scheme is the key generation based on the hash functions of the image and its metadata. The key then is highly related and intensely sensitive to the original image. The second part is the rotation and permutation of the first two MSB bit‐plans of the medical image to reduce its black backgr…
On-line quizzes to evaluate comprehension and integration skills
2016
[EN] This work demonstrates the use of a 2.0 tool, namely, Socrative, to evaluate one of the cross-curricular competences indicated by the Universitat Politècnica de València, specifically, comprehension and integration. It has been applied to the courses in different areas: sciences, engineering and languages. As part of its implementation, activities were proposed that could be done at the beginning, during or at the end of the class to, on the one hand, help students acquire the knowledge associated with the course(s), and on the other, gather evidence that demonstrates acquisition of said competence. The results show a high level of satisfaction by the students with the use of the Socra…
Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
2018
Abstract The development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this problem. Appropriate simulations and computations facilitate the determination of the nature of interaction between the reagents and thus the selection of the best configuration of chemicals for the preparation of the sorbent. The article presents literature …
deaR-Shiny: An Interactive Web App for Data Envelopment Analysis
2021
In this paper, we describe an interactive web application (deaR-shiny) to measure efficiency and productivity using data envelopment analysis (DEA). deaR-shiny aims to fill the gap that currently exists in the availability of online DEA software offering practitioners and researchers free access to a very wide variety of DEA models (both conventional and fuzzy models). We illustrate how to use the web app by replicating the main results obtained by Carlucci, Cirà and Coccorese in 2018, who investigate the efficiency and economic sustainability of Italian regional airport by using two conventional DEA models, and the results given by Kao and Liu in their papers published in 2000 and 2003, wh…
Fuzzy Systems Based on Multispecies PSO Method in Spatial Analysis
2012
We present a method by using the hierarchical cluster-based Multispecies particle swarm optimization to generate a fuzzy system of Takagi-Sugeno-Kang type encapsulated in a geographical information system considered as environmental decision support for spatial analysis. We consider a spatial area partitioned in subzones: the data measured in each subzone are used to extract a fuzzy rule set of above mentioned type. We adopt a similarity index (greater than a specific threshold) for comparing fuzzy systems generated for adjacent subzones.
Evaluación del impacto del uso de dispositivos de radio definida por software como herramienta docente en la materia de comunicaciones digitales
2020
La innovación educativa es un proceso que se extiende más allá de un año académico. En su desarrollo se distinguen las etapas de planificación, implementación, evaluación y retroalimentación para identificar los aspectos susceptibles de mejora. En esta contribución, presentamos un procedimiento para evaluar el impacto del uso de dispositivos de radio definidos por software en los laboratorios de comunicaciones digitales. Este procedimiento evalúa el compromiso de los estudiantes, además se implementan sesiones de laboratorio más realistas que se acercan a los sistemas de comunicaciones actuales y se alejan de las prácticas de simulación estándar. Se cuantifica el compromiso de los estudiant…
Elements of Sustainability for Public Sector Software : Mosaic Enterprise Architecture, Macroservices, and Low-Code
2021
Public sector is a large consumer for software. In countries such as Finland, many of the systems are made to order by consultancy companies that participate in public tenders. These tenders initiated by the state, cities, and other public sector organizations. Furthermore, as public sector tasks are often decomposed to various actors, each and every one of them makes their purchase based on their own needs. In this paper, we argue that to maintain software sustainability in this context, there is a need for three key elements. Firstly, there is a need for an enterprise architecture where independent services from various vendors are can be easily deployed and integrated. Secondly, these se…
EOF-Library: Open-source Elmer FEM and OpenFOAM coupler for electromagnetics and fluid dynamics
2019
EOF-Library is a software that couples Elmer and OpenFOAM simulation packages. It enables efficient internal field interpolation and communication between the finite element and the finite volume frameworks. The coupling of the two packages is based on the Message Passing Interface, which results in low latency, high data bandwidth and parallel scalability. Potential applications are magnetohydrodynamics, convective cooling of electrical devices, industrial plasma physics and microwave heating. In this work we introduce the software and perform interpolation accuracy and parallel scaling tests by sending a known scalar distribution between the two codes. Keywords: Elmer, FEM, OpenFOAM, FVM,…