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between condensed matter physics, nonlinear optics or computational photonics. The candidate should: Hold a PhD in physics, chemistry, or a closely related field. Have experience with ab initio methods (DFT
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framework to model complex catalytic materials with near ab initio accuracy while enabling simulations at significantly larger spatial and temporal scales than conventional electronic structure methods
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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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Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description Ce projet de thèse vise à développer une description ab initio , dite
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, Ansys, Lumerical, or Sonnet Experience with electronic design automation (EDA) tools Experience working with ab-initio methods for materials simulation e.g. Density Functional Theory (DFT) Experience
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Laboratoire Interdisciplinaire des Energies de Demain - Université Paris Cité | Paris 15, le de France | France | 18 days ago
from the molecular scale (ab initio calculations) to continuum approaches, thereby accounting for the different levels of complexity present in real materials. The PhD student will focus on the molecular
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there are legal requirements, such as a license, certification, and/or registration. Additional Requirements Expertise in ab initio molecular dynamics, density functional theory and high-performance computing
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research and design challenges that include (but are not limited to): Modelling of the electronic properties of two-dimensional materials and model structures using ab initio and semi-empirical methods
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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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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