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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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of materials modelling and nuclear theory, and the ability to work both independently and collaboratively in an international research environment. Where to apply Website https://phd.fbk.eu/calls/detail/ab
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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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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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close collaboration with experimental researchers working on battery electrodes, thermoelectric materials and ferroelectric relaxors. Main tasks Generate and curate ab initio reference datasets
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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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using advanced theoretical chemistry techniques (DFT, ab initio MD, QTAIM, multireference calculations) and data processing. Publication of results in scientific journals. Requirements University degree
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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