Optimisation du potentiel gros-grain sOPEP et extension en régime tout-atomes

Les protéines sont des nanomachines dont les fonctions, venant de leur structure tridimensionnelle, sont fondamentales à la survie de la cellule. Avec l’amélioration croissante des super-ordinateurs et des algorithmes, les méthodes informatiques deviennent incontournables à l’étude des protéines. Les interactions physiques à l’origine de la structure des protéines sont modélisées à l’aide d’un potentiel. Les […]

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Inferring matter density from halo spatial distribution

The current picture of structure formation in cosmology suggests that initially over-dense regions of dark matter collapse to form halos. These halos also host most of the luminous matter like galaxies. However, we cannot trace the dark matter directly since it does not interact with light. Therefore, the relationship between the underlying cosmic density and […]

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DNA as the addressable element in mesoporous silica particles

Oligonucleotides will be structurally integrated within complementary architectures in order to synthesize hybrid nanomaterials featuring biomolecular-driven behavior. We plan to synthesize nanoparticles featuring nucleic acid conjugates embedded in the structural network, so that their dynamics could be programmed for cancer therapy. We intend to make use of the biodegradable organosilica technology developed in De Cola’s […]

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CO2 Capture by Molecular Simulation in Novel Solvents

This project uses computer-based molecular simulations to determine physical and chemical properties of a class of molecules known as alkanolamines dissolved in water designed to absorb carbon dioxide from industrial exit streams. These properties are important in helping select individual alkanolamines to be used as solvents in post-combustion carbon capture and sequestration (CCS). CCS is […]

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Molecular Topological Features of Catalytic Reactions

This research targets the apparent contradiction between quantum mechanics (wherein molecules are composed of electrons and nuclei) and the language of chemistry (wherein molecules are composed of atoms and bonds) by developing topological tools for describing the output of quantum mechanics computations in chemical language. Specifically, the topology of various descriptors based on the molecular […]

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Organic acid photochemistry at the surface of desert dust

Mineral dust can get lifted and transported from remote arid regions into urban areas by winds. These urban areas contain higher concentrations of organic pollutants, including carboxylic acids, due to human activities. The goal of this project is to understand the interactions of two atmospherically abundant carboxylic acids, formic and propionic acid, with mineral dust. […]

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Développement d’une méthode d’analyse chromatographique des vitamines A et E pour les algues fraîches et transformées et autres produits marins

Au Québec, l’industrie des algues est appelée à se développer dans le futur. Ces dernières sont considérées comme des superaliments de par leur excellente valeur nutritive. Par exemple, elles contiennent souvent des teneurs importantes en vitamine A et E. Elles peuvent ainsi être ajoutées dans des recettes en tant que légumes. Pour ce faire, les […]

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Understanding Transportation Behaviour at Trent University

The proposed research project will seek to highlight the factors that influence transportation behaviour, as well as the specific barriers that exist for particular modalities on Trent University’s Symons campus. This, then, will provide a more intimate understanding of how future efforts to bring about more sustainable transportation systems might serve to address the specific […]

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Silicon Quantum Dot Trace Explosive Sensor

Development and testing of a trace explosive sensor based on silicon nanomaterials or quantum dots. The project will involve interaction and pilot testing with the RCMP and Transport Canada. The success of the project will enable Applied Quantum Materials to introduce a new product into the security marketplace and form a platform technology for the […]

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