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. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
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close synergy with partners. Activities: Design and synthesis of photocatalytic materials Development of semiconductor nanoparticles (sensitized or not with grafted dyes) and molecular systems
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thermodynamic and experimental conditions, parametrizing interatomic potentials, and incorporating substrate interactions to align with synthesis scenarios. The researcher will design and execute simulation
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virtual chemical library screening pipeline on a computing cluster (4,000 cores). - Develop protocols for aggregating, processing and filtering the data resulting from the pipeline. - Design an interactive
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of technological innovation aimed at sup- porting farmers by alerting them of imminent lambing events. Its objective is to provide a reliable predictive system based on sensors and artificial
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(study conducted by our collaborators in Marseille). The postdoctoral researcher will participate in the design, execution, and analysis of behavioral experiments in humans. Furthermore, they will develop
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systems, whether electronic, electromagnetic or photonic. This work is carried out in constant interaction with the socio-economic and scientific environment of the two sites (Grenoble and Bourget- du-lac
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influence the dynamics of photoexcited states, would bring considerable progress in the design of performing materials. Research studies : The goal of the project is to design, elaborate and investigate
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the continuum between basic research and innovation serving the patient Context Laboratory The Cavalli Lab is part of the "Computational Oncology" Unit (U1331 INSERM, Mines ParisTech, Institut Curie) at Institut
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this case, the external neutron source that maintains the reactor core thermal power is generated by the interaction of a high-intensity proton beam with a spallation target. However, the design, development