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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional theory (DFT) is a significant asset to support ongoing
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of CIMAP laboratory - Centre de recherche sur les ions, les matériaux et la photonique (Caen, France). She/he will be involved in research activities related to the SMILEI project (Storage of Molecular Ion
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entanglement. - Theoretical and Analytical Studies: Conduct theoretical and numerical analyses of superradiant molecular ensemble models, with thorough documentation of processes and results. - Simulation Code
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. Measuring and predicting the effect of copy number variants on general intelligence in community-based samples. JAMA Psychiatry 2018 75(5):447-457. Mercati O. et al. CNTN6 mutations are risk factors for
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and
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/Qualifications A PhD degree in molecular chemistry and a strong background in organic synthesis, skills and motivation for multistep synthesis, expertise in characterization techniques (NMR 1D and 2D, mass
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, while preserving ultimate precision in single-molecule localization and access to key photophysical parameters (fluorescence lifetime, brightness, molecular dynamics). This approach paves the way toward
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, open, inclusive and collaborative, are great strengths. We ask all candidates to submit a copy of their CV, and a supporting statement, detailing how they meet the essential criteria listed. Please also