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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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Additional Information Eligibility criteria Technical skills: - Extensive experience in nonlinear optics (theory and experiments), - Specific laser instrumentation in the femtosecond pulse regime and mid
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, 7503–7507 (2015) • collaborate with theoreticians at CEMES to compare experiments with the band structure first-principles calculations based on the density functional theory (DFT). The National Intense
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matter exist in theories beyond the SM, and the WIMP (Weakly Interacting Massive Particle) is one of the best motivated of these candidates, as it allows to also solve the SM hierarchy problem, directly
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generalize existing analytic methods—particularly the Effective Field Theory of Large-Scale Structure (EFTofLSS)—to include the effects of massive neutrinos and non-standard dark matter, validate theoretical
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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 Research ExperienceNone Additional Information Eligibility criteria Required scientific & technical background : - Materials science (theory, practice), with emphasis on composites and CMC - Materials
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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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on flows driven by thermal convection, we have obtained an unambiguous observation of the 'ultimate regime' of thermal convection, at play in geophysical and astrophysical flows. We have developed a theory