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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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, experimental data bases and materials data bases together with novel AI tools. Where to apply Website https://auspire.eu/research-team/icn2-pf1-call-2/ Requirements Research FieldChemistryEducation LevelPhD
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diffractometer, a GC for common gas analysis, a GC/MS, and an HPLC/MS. DFT calculations will be performed using annual allocations on national high-performance computing centers. More details here: https
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in Toulouse: the LNCMI (transport measurements at very high fields), the CEMES (theory, DFT), and the LAAS (epitaxial growth and nanofabrication). Where to apply Website https://emploi.cnrs.fr/Candidat
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. Writing scientific articles. Presenting results at scientific conferences. Where to apply Website https://sede.uam.es/sede/piproyectos Requirements Research FieldBiological sciencesEducation LevelPhD
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' (http://www.quanthic.org ) within the Institut of Chemistry for Life and Health Sciences at Chimie ParisTech -PSL (Paris, France). This work is financed under the ANR ElectroHIP project. Where to apply
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, or demonstrate a willingness to acquire relevant expertise rapidly. Proficiency in coding, numerical modeling, and experience with periodic DFT codes or MOLCAS are desirable attributes. The start date
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will focus on the development of GPU-accelerated GPAW software based on density functional theory (DFT) for constant-potential calculations within a plane-wave framework. The developed software will be
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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functional theory (DFT), anharmonic lattice dynamics, machine learning force fields, transport, and high-performance computing (HPC). Position Specific Responsibilities/activities: Perform ab-initio