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-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
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Postdoc (f/m/d): Machine Learning for Materials Modeling / Completed university studies (PhD) in ...
using first-principles simulations software (density functional theory and related codes) # Automated Workflows:Utilize automated workflows on high-performance computing systems for efficient data
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Density Functional Theory (DFT) calculations. Application Process: Interested Candidates should contact Dr. Mausumi Mahapatra via email at mmahapatra1@luc.edu . Applicants are required to submit their CV
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not limited to: electronic structure methods (density functional theory and "beyond"), classical atomistic, and machine learning methods. The duties/responsibilities of this post include developing and
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functional theory) and high-performance computing. Additional background in renewable energy, surface science, catalysis, and/or machine learning. Strong programming skills in Python and some exposure to
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challenges, from mitigating the impacts of natural hazards and sustaining our habitat amid global change to responsibly managing georesources. We are part of the Helmholtz Association, the largest German
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Helmholtz-Zentrum Potsdam - Deutsches GeoForschungsZentrum GFZ | Potsdam, Brandenburg | Germany | 2 months ago
for the Earth’s upper crust, which represents an important part of the entire gravitational potential of the Earth. Your responsibilities: Development of new input data files: Merging global density files for crust
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assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
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functional theory (DFT) outputs for representative quantum paraelectrics and use these force fields to perform lattice-dynamics simulations with explicit quantum mechanical treatment of the nuclei. Profile A
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-Rossendorf in Görlitz, Germany. This project aims to develop and apply novel, temperature-dependent approximations for electron-electron interactions using density-functional theory (DFT), with a specific