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of materials under pressure, with a view to identifying and formalizing rules and concepts; - Applying the DFT/MLIP “Crystal Structure Prediction CSP” methodology to various issues addressed by the research
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of materials. We are searching for a Postdoctoral Researcher with excellent numerical skills and a deep understanding of condensed-matter physics concepts. Experience in machine learning, DFT, symmetry aware
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of materials. We are searching for a Postdoctoral Researcher with excellent numerical skills and a deep understanding of condensed-matter physics concepts. Experience in machine learning, DFT, symmetry aware
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approaches based on density functional theory (DFT) have been introduced in recent years. A new research theme, "organometallic structures (MOFs)," has been introduced more recently, proposing the use
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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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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | 1 day ago
functional theory (DFT), including the development and analysis of modern functionals # Solid background in electronic structure theory and quantum chemical methods # Extensive and specialized experience with
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 10 days ago
environments, · data manipulation and scripting (Python, Perl, etc.), · programming skills (Fortran, C, C++), · experience with DFT calculations and classical molecular dynamics. We offer: · work in a promising
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numerical calculations (DFT...) to achieve the objectives of the project. Develop adequat numerical methods necessary to reach these goals. Study of the Pt/Co/HfO2 interface: - Calculate the thermodynamical
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, electronic properties, and spectroscopic response. A major component of the project will focus on coupling DFT calculations with machine learning models to accelerate spectral prediction, identify robust
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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