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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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Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description The subject concerns the study of new catalysts
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of suitable catalysts and the optimization of operating conditions. This project aims to investigate the catalytic conversion of phenolic monomers via the catalytic hydrogen transfer process in both gas and
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. Major advances have been made in diverse application areas: adsorbents, graphene biocarbons, co-crystals, cooperative multifunctional catalysts, bio-based catalysts, and bioaerogels. Molecular modeling
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University Foundation, aims to develop self-assembling and water-soluble artificial mini-proteins with bioinspired heme&Trp redox cofactors for targeted catalysis, and resulting in novel versatile catalysts
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subsidiarity at the territorial scale," specifically through the "materials for energy storage" program. Using molecular modeling tools, the objective is to participate in the design of a single catalyst capable
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mechanistic features will be deciphered in order to fully understand the cleavage reaction of DNA with DNAzymes. Sample preparation (DNA both as catalyst and substrate), followed by optimization of pulsed EPR
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organic, organometallic, computational chemistry, and catalysis, all driven by a passion for creating and breaking bonds using organic and organometallic catalysts. Our research focuses on converting