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Field
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excited electronic states.; experience in using nonadiabatic molecular dynamics, and strategies to include the effect of an environment in excited-state simulations; experience with coding and scripting
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in high-performance computing, materials chemistry, theoretical chemistry, molecular dynamics, data science, and machine learning are beneficial. What we offer: We offer a position with a competitive
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coding, and interpersonal dynamics. Additionally, training will cover practical skills such as software utilization for data management and analysis, reflective debriefing techniques, and advanced report
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, molecular dynamics, and machine learning, to model battery electrolyte and solid electrolyte interphase (SEI), while collaborating with experimentalists. Qualifications • Ph.D. in Computational Materials
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Chemistry, or a related discipline. · Postdoctoral research experience in a related discipline. · Strong background in electronic structure calculations and molecular dynamics simulations
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to undertake research in computational protein design. This will involve developing molecular simulation methods to optimise sequences for a variety of design tasks. Ensemble reweighting and alchemical
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dynamical core and supplementary parametrizations for relevant physical processes, such as molecular diffusion, ion-drag and Joule heating, frictional heating and radiation. The Thermosphere Ionosphere
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Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | about 1 month ago
systems, solid state physics, classical and/or quantum electrodynamics, quantum chemistry (e.g. DFT or wave-function based approaches), molecular dynamics, rate theory Desired skills and qualifications
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molecular dynamics simulations and was specially designed for parallelisation on GPUs. It is open source and licensed under the LGPL. Details can be found on the website https://halmd.org Job-Description
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matter physics, physical chemistry, computational chemistry, statistical mechanics, or related fields Good English language – spoken and written Nice-to-have: Experience with molecular dynamics simulations