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I have used mathematica to solve several problems that relate to the symbolic calculation of the ‘molecular integrals’ that are a mainstay of computational chemistry. This work has provided many new results of chemical and mathematical interest, and it has led to a powerful programming methodology that I call mathscape that uses a novel open ended set of macros. Some further work on molecular integrals is presented here, largely as an introduction to mathscape. I discuss (1) the immediate mathematical problem of the ‘J’ integrals, (2) the key features of mathscape, (3) a novel reduction of the J integrals, (4) the chemical context of this work, and (5) the computer science context.

Part 4: Energy Efficiency and Cooperation in Wireless Networks; International audience; Herein, we will focus on proposing a service taxonomy and classification for RBA/SOA architectures aiming to model a common framework for the description and composition of possible Atomic Services or networking functions valid for architectures coping with heterogenous environments. The final objective is fine-tuning the delivery chain to optimize application and delivery performance and behaviour in heterogenous networks. Although our work takes the TARIFA architecture as the basis model for our contribution, we think it can be helpful for other architectures dealing with protocol modularization and service composition.

National audience; Within the framework of the 'DISCOVER' project (ANR Bio-diversity), the relationships between the bio-diversity and the functioning of pasture swards with a complex floristic composition are being studied in long-duration experiments, The data supply parameters and the means of evaluation for setting-up a mechanical model (GEMINI) that simulates the dynamics of the plant species and its consequences on the production and the quality of the herbage, and also on the workings of the soil. For the plants competing among themselves within the sward, GEMINI calculates the interception of light and of nitrogen, as well as the morphology of the above-ground parts and of the roots. The first modelling studies had borne on the simplified case of sown grass-clover associations. The present ambition of DISCOVER is to apply the model to swards with a complex floristic make-up, constituted by voluntary species, generally less well known. The effects of the number and of the type of species on the productivity of the pastures have been simulated, taking into account their plasticity of form and of function. Three examples of results are given. They concern : the role of the plasticity of leaf features in the response of grasses to nitrogen; the role of etiolation in the response of a dicotyledon to shade; and the role of the number of species and of functional groups in the productivity of the pasture. The applications of the model concern the role of bio-diversity in the ecological benefits of pastures with a complex floristic composition, and the simulation of the impacts of the climatic change.; La mise au point d'un modèle mécaniste permettant de simuler le fonctionnement de prairies à flore complexe est un projet ambitieux, permis par la synthèse de divers travaux de recherche en agronomie, zootechnie et écologie fonctionnelle. Les applications de ce type de modèle concernent la gestion des prairies, le rôle de la biodiversité pour les services écologiques des prairies et la simulation des impacts du changement climatique. Le projet DISCOVER étudie les relations entre la biodiversité et le fonctionnement de couverts prairiaux à flore complexe dans des expériences de longue durée, ce qui permet de paramétrer et d'évaluer un modèle mécaniste (GEMINI) lequel simule la dynamique des espèces végétales et ses conséquences pour la production végétale, la qualité de l'herbe et le fonctionnement du sol. Pour des plantes en compétition au sein du couvert, GEMINI calcule la capture de lumière et d'azote, ainsi que la morphologie des parties aériennes et des racines. Les effets du nombre et du type d'espèce pour la productivité de la prairie ont été simulés, en tenant compte de la plasticité de forme et de fonction des plantes. Des exemples de résultats sont donnés.

Blending and filleting are well established operations in solid modeling and computer-aided geometric design. The creation of a transition surface which smoothly connects the boundary surfaces of two (or more) objects has been extensively investigated. In this work, we introduce several algorithms for the construction of, possibly heterogeneous, trivariate fillets, that support smooth filleting operations between pairs of, possibly heterogeneous, input trivariates. Several construction methods are introduced that employ functional composition algorithms as well as introduce a half Volumetric Boolean sum operation. A volumetric fillet, consisting of one or more tensor product trivariate(s), is fitted to the boundary surfaces of the input. The result smoothly blends between the two inputs, both geometrically and material-wise (properties of arbitrary dimension). The application of encoding heterogeneous material information into the constructed fillet is discussed and examples of all proposed algorithms are presented. (C) 2021 Elsevier B.V. All rights reserved.