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Field
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computational datasets of disordered materials based on density functional theory calculations and training machine learning models to accelerate the predictions. This work will involve collaboration with Assoc
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of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional theory (DFT) is a significant asset to support ongoing
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papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD), Kinetic
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to scientific research papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD
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of attoseconds to femtoseconds. The project will involve working with first principles time dependent density function theory (TD-DFT, as implemented in the Elk code) [1-3]. A background including experience in
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. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
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-Performance Computing Advanced Know-How in the fields of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional
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Max Planck Institute for Demographic Research (MPIDR) | Rostock, Mecklenburg Vorpommern | Germany | about 3 hours ago
realistic variations in features such as lighting, crowd density, and signs of disorder. This approach enables rigorous theory testing and helps identify how public safety interventions can reduce anti-social
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systems at various scales, for example using ab initio electronic structure methods like density-functional theory, developing interatomic potentials with various methodologies including machine learning
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, spanning from the investigation of surface plasmons and the design of nano-structured catalyst materials to density functional theory calculations to understand surface reactions and materials on an atomic