Search results for "Computer-aided"
showing 10 items of 416 documents
Tautomerism in pyridazin-3(2H)-one: a theoretical study using implicit/explicit solvation models.
2013
Abstract The tautomeric conversion of pyridazin-3(2H)-one 1 into pyridazin-3-ol 2 has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-311++G** level. Two mechanisms have been considered for this process: (i) one in which the hydrogen is directly transferred through TS12; and (ii) another one in which a double hydrogen transfer takes place via TS1122 upon formation of the corresponding dimer. The former requires a very high activation energy of 42.64 kcal/mol as a consequence of the strain associated with the formation of the four-membered TS12, while the latter requires a much lower activation energy, 14.66 kcal/mol. Implicit, explicit, and a combinat…
Hyperspectral Texture Metrology Based on Joint Probability of Spectral and Spatial Distribution
2021
International audience; Texture characterization from the metrological point of view is addressed in order to establish a physically relevant and directly interpretable feature. In this regard, a generic formulation is proposed to simultaneously capture the spectral and spatial complexity in hyperspectral images. The feature, named relative spectral difference occurrence matrix (RSDOM) is thus constructed in a multireference, multidirectional, and multiscale context. As validation, its performance is assessed in three versatile tasks. In texture classification on HyTexiLa, content-based image retrieval (CBIR) on ICONES-HSI, and land cover classification on Salinas, RSDOM registers 98.5% acc…
An MDE Approach for Rapid Prototyping and Implementation of Dynamic Reconfigurable Systems
2015
This article presents a co-design methodology based on RecoMARTE, an extension to the well-known UML MARTE profile, which is used for the specification and automatic generation of Dynamic and Partially Reconfigurable Systems-on-Chip (DRSoC). This endeavor is part of a larger framework in which Model-Driven Engineering (MDE) techniques are extensively used for modeling and via model transformations, generating executable models, which are exploited by implementation tools to create reconfigurable systems. More specifically, the methodological aspects presented in this article are concerned with expediting the conception and implementation of the hardware platform and the integration of corre…
Dissecting and Reassembling Color Correction Algorithms for Image Stitching
2018
This paper introduces a new compositional framework for classifying color correction methods according to their two main computational units. The framework was used to dissect fifteen among the best color correction algorithms and the computational units so derived, with the addition of four new units specifically designed for this work, were then reassembled in a combinatorial way to originate about one hundred distinct color correction methods, most of which never considered before. The above color correction methods were tested on three different existing datasets, including both real and artificial color transformations, plus a novel dataset of real image pairs categorized according to …
Experimental design method to the weld bead geometry optimization for hybrid laser-MAG welding in a narrow chamfer configuration
2017
International audience; The work presented in this paper relates to the optimization of operating parameters of the welding by the experimental design approach. The welding process used is the hybrid laser-MAG welding, which consists in combining a laser beam with an MAG torch, to increase the productivity and reliability of the chamfer filling operation in several passes over the entire height of the chamfer. Each pass, providing 2 mm deposited metal and must provide sufficient lateral penetration of about 0.2 mm. The experimental design method has been used in order to estimate the operating parameters effects and their interactions on the lateral penetration on one hand, and to provide a…
Experiment of Indoor Thermal Optimization of an Old Historic Building of Cluny through Digital Mock-up Simulation
2013
International audience; Improving energy efficiency is the first and most important step toward achieving sustainability in buildings. Buildings designed with sustainable solutions are usually energy-efficient because sustainable design is aimed at producing green buildings. In the case of historic buildings, however, this is quite challenging. Integrated building energy simulation programs have been used in various ways by building professionals to respond to these challenges and to improve building design with respect to sustainability. This poster presents a new approach toward optimizing thermal indoor energy using a digital mock-up simulation of a historical building to explore its pot…
Structural Investigations on Novel Non-Nucleoside Inhibitors of Human Norovirus Polymerase
2022
Human norovirus is the first cause of foodborne disease worldwide, leading to extensive outbreaks of acute gastroenteritis, and causing around 200,000 children to die annually in developing countries. No specific vaccines or antiviral agents are currently available, with therapeutic options limited to supportive care to prevent dehydration. The infection can become severe and lead to life-threatening complications in young children, the elderly and immunocompromised individuals, leading to a clear need for antiviral agents, to be used as treatments and as prophylactic measures in case of outbreaks. Due to the key role played by the viral RNA-dependent RNA polymerase (RdRp) in the virus life…
Computational methodologies applied to Protein-Protein Interactions for molecular insights in Medicinal Chemistry
2021
In living systems, proteins usually team up into “molecular machinery” implementing several protein-to-protein physical contacts – or protein-protein interactions (PPIs) – to exert biological effects at both cellular and systems levels. Deregulations of protein-protein contacts have been associated with a huge number of diseases in a wide range of medical areas, such as oncology, cancer immunotherapy, infectious diseases, neurological disorders, heart failure, inflammation and oxidative stress. PPIs are very complex and usually characterised by specific shape, size and complementarity. The protein interfaces are generally large, broad and shallow, and frequently protein-protein contacts are…
IFC and Buildings Lifecycle Management
2008
International audience; This paper presents an extension of the BIM technology that allows to manage information during the entire lifecycle of an AEC project. Usually, AEC projects and facility management are dissociated. Our building information system plays a central role in the improvement of the design and the management process. The building activity generates a great number of data and information of various kinds. The management and the communication of these data by the various participants is complex. Our design and management methods use IFC files to facilitate the sharing process for a better qualification and validation of data.
SHREC 2020: Retrieval of digital surfaces with similar geometric reliefs
2020
Abstract This paper presents the methods that have participated in the SHREC’20 contest on retrieval of surface patches with similar geometric reliefs and the analysis of their performance over the benchmark created for this challenge. The goal of the context is to verify the possibility of retrieving 3D models only based on the reliefs that are present on their surface and to compare methods that are suitable for this task. This problem is related to many real world applications, such as the classification of cultural heritage goods or the analysis of different materials. To address this challenge, it is necessary to characterize the local ”geometric pattern” information, possibly forgetti…