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absorption fine structure), development of data-analysis approaches and computer software for simultaneous structural refinements using multiple types of data combined with ab initio theoretical modeling
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and applies quantum mechanics-based methods for the description of condensed matter systems, including the successful software package VASP (Vienna ab-initio Simulation Package). We focus
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a Research Infrastructure? No Offer Description Keywords: solid-state NMR, ab-initio molecular dynamics (AIMD), thin-film amorphous electrolytes Background and motivation: Thin-film amorphous
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applies quantum mechanics-based methods for the description of condensed matter systems, including the successful software package VASP (Vienna ab-initio Simulation Package). We focus on the development
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the successful software package VASP (Vienna ab-initio Simulation Package). We focus on the development of methods to solve the many-electron Schrödinger equation for fermions and bosons with high accuracy and on
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Maxwell’s equations – strong foundations in quantum electrodynamics (QED) are a significant bonus. The role of SRF will focus on developing ab initio theory and developing software to describe and study
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, as well as to the development of a structured database generated from ab initio calculations and enriched through machine learning approaches. The objective is to develop predictive tools to analyze
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software package VASP (Vienna ab-initio Simulation Package). We focus on the development of methods to solve the many-electron Schrödinger equation for fermions and bosons with high accuracy and on
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the Institute of Planetology and Astrophysics of Grenoble (IPAG, France). The successful candidate will join the group led by Benoît Cerutti to work on ab-initio plasma simulations of relativistic
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providing reference spectroscopic line-shape data based on experimentally validated ab initio quantum scattering calculations. We will fully utilize capabilities to populate spectroscopic databases and