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RAP opportunity at National Institute of Standards and Technology NIST Ab Initio Mass Spectrometry Location Material Measurement Laboratory, Chemical Sciences Division opportunity location
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RAP opportunity at National Institute of Standards and Technology NIST Methods and Applications in Ab Initio Thermochemistry Location Material Measurement Laboratory, Chemical Sciences Division
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Domaine Matériaux, physique du solide Contrat Stage Intitulé de l'offre Stage BAC+5 Simulation multi-échelle H/F Sujet de stage Ab initio free-energy landscape of lithiated graphite Durée du contrat
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generating fusion energy. This research will focus on the chemical speciation and transport of tritium in the molten salt blankets using ab initio quantum simulations, machine learning potentials, and
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to EUV generation, obtained ab initio from Maxwell’s equations and quantum electrodynamics/quantum field theory Job Requirements: PhD degree in physics, mathematics, engineering or related field Strong
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the ionization process and the resulting correlations. Confront the measurements with the ab initio and analytical strong-field theory developed by the UCL partner group, closing the loop between experiment and
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constant-potential simulations, explicit-solvent methods, ab initio molecular dynamics or electrochemical-interface modelling. Pre-employment checks and declarations Your employment is conditional upon
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that also integrates theoretical aspects beyond spectroscopic observables. Field of Work - Quantum chemical calculations (using mainly DFT) and hybrid QM/MM calculations - Classical, ab
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electrocatalysis: The research involves the application and development of ab initio methods, molecular dynamics and kinetic Monte Carlo simulations to model electrocatalytic oxidation and reduction reactions
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/ab initio workflows (Gaussian, ATK, CASTEP) and beyond - Mathematica, Python, Fortran implementations; UNIX/Linux environments • Collaborate with experimental groups and other theorists to design