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Elements such as Ca and Mg are crucial in many synthetic and natural materials, including bones and teeth. The intrinsic structural complexity of these materials calls for the development of original and advanced characterization techniques. New and promising preliminary results obtained by 43Ca D

Advances in solid-sate NMR characterisation and modelling by Quantum Mechanics methods lead to an important renewal of zeolite research. Our project is thought as a key step in this field. The global objective is to determine the nano-scale organization of zeolites with complex topology (e.g. MFI) i

The ultimate objective in the present scientific domain is to be able to calculate theoretically, as efficiently as possible, the solvation properties of molecules, macromolecules, interfaces immersed in various solvents. Direct applications can be obviously found in biology, in colloidal physics, i

The general scientific context of the shapeNread project is massive and long-term data storage, with the need for alternative media to hard disks that are currently employed and require energy-consuming data centers to store quintillion bytes of data generated every day. A key issue is to increase s

Although ubiquitously used as fluorescent probes in biological imaging, fluorescent proteins (FPs) of the GFP family exhibit a variety of photochemical reactions, which mechanisms are still incompletely understood. Some of these reactions led to innovative applications. Thus, dynamic contrast micros

Processes involving the excitation or ionization of core electrons are very usefu for the characterization of matter in the microscopic scale: they are very selective with respect to the atomic center being probed, and very sensitive to the chemical environment surrounding this center. Experimental

This project requires improving the capabilities of the already existing ultrafast optical spectroscopy laboratory of the ?Institute of Physics of University of Rennes 1 (?P1?) and of the X-ray spectrometers and diffractometers at the Bernina instrument at the Free Electron Laser (FEL) ?SwissFEL. In

Dynamic nuclear polarisation (DNP) is a powerful method that enhances NMR sensitivity by transferring the large spin polarisation of electrons to nuclei. But DNP is also limited because it requires cryogenic temperatures and paramagnetic doping that lower resolution and sensitivity. A much better

The LUCAS project aims at developing molecular and supramolecular devices for photonic upconversion (UC) in aqueous solutions at room temperature and to study them by microscopy. In these assemblies, the funneling of energy transfer will optimize the piling up of intermediate excited states to achie

Measuring trace gases having a notable impact on human health, climate and the stability of the ozone layer constitutes an extremely important challenge. In the coming years, new, higher sensitivity satellite instruments will improve atmospheric sounding only if the necessary spectral parameters are

The SMMCPL project aims at investigating both experimentally and theoretically the synergy between Single-Molecule Magnet (SMM) behaviour and Circularly Polarized Luminescence (CPL) in chiral lanthanide-based mononuclear complexes. Indeed, the magnetic-dipole f-f transitions responsible for the enha

The main objectives of RUBI are twofold. One is methodological, the other one is applicative. On the methodological side, the objective is to develop an hybrid scheme cpupling DFTB and MMpol in the software deMon-Nano, The other one is a transition scheme between BOMD and Ehrenfest MD in deMn2k. -

On the one hand, as an emerging and challenging strategy multimodal imaging combining Raman Scattering (RS) and Matrix-Assisted Laser Desorption/Ionization (MALDI) MSI needs further improvements: 1) optimization of a stringent and common sample preparation including cryo-sectioning and accurate iden

Monoclonal antibodies (mAbs) are enjoying significant success as a therapeutic agent. This advantage is explained in particular by a favorable half-life as well as the possibility of specifically targeting the associated antigen. Due to their recent introduction as a therapeutic agent, the evolution

Heterogeneous catalysis is an essential process for the world's economy and its sustainable growth. While progress to its understanding has been made in the past decades, many elementary steps remain unresolved, such as the diffusion of the chemically reacting adsorbates on the catalytic substrate.

Photoconvertible fluorescent molecules are powerful tools in bioimaging to unambiguously track labeled biomolecules over large spatiotemporal scales. In this field photoconvertible fluorescent proteins are predominant but suffer from several drawbacks. Conversely molecular probes are characterized b

Notre objectif est double et va de la compréhension fondamentale du processus de séparation d’isomères avec la spectrométrie de mobilité différentielle (DMS) couplée à la spectrométrie de masse tandem (MS/MS) au développement de méthodologies robustes pour la séparation, l’identification et la quant

Processes related to electronically excited states are central in chemistry, physics, and biology, playing a key role in ubiquitous processes such as photochemistry, catalysis, and solar cell technology. However, defining an effective method that reliably provides accurate excited-state energies re

Developing Serial X-ray Crystallography Methods for Hybrid Energy Systems Metal Organic Frameworks (MOFs) and PolyOxoMetalates (POMs) are crystalline materials at the forefront in the design of novel energy storage and conversion systems. The functionalities of MOFs and POMs can be rationally

For n-interacting electron systems, numerical diagonalization is limited to Hamiltonians of few tens of electrons on classical computers. Thus a physically motivated and transferable approach to divide this intractable N-interacting particle problem into multiple sub interacting embedded systems tha

The identification of organic molecules in mixture is a crucial issue in the vast majority of human activities related to chemistry (healthcare, energy, materials, etc.). Transformation processes that lead from natural resources, either from fossil carbon industry or biomass exploitation, to low-val