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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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theoretical and practical experience with machine learning methods, especially for training of machine learning potentials - development and utilization of ab initio electronic-structure methodology - previous
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Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | about 1 month ago
-Bahrenfeld and investigates non-equilibrium quantum phenomena down to elementary timescales. The theory department of A. Rubio is specialized on the ab-initio description of (quantized) light-matter
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the successful software package VASP (Vienna ab-initio Simulation Package). Currently, the group consists of two full professors, one associate professor, several postdocs and about 10 PhD and master students
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techniques. The research will integrate ab initio-based modeling and DFT calculations with experimental data to enhance the understanding and optimization of the proposed materials as sorbents or possible
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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that enhance the performance of thin-film solar cells. LightTrap covers the entire discovery chain, from ab initio calculations and photonic simulations to materials synthesis and nanostructuring, all guided by
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materials and nanostructures that enhance the performance of thin-film solar cells. LightTrap covers the entire discovery chain, from ab initio calculations and photonic simulations to materials synthesis
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collaboration with the national (GTK, CSC) and international project partners (Karlsruhe Institute of Technology). Perform ab initio molecular dynamics (MD) simulations together with consortium partners
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing