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strong interest in atomistic modeling of surface reactions. Excellent communication skills in written and spoken English. Preferred qualifications: Experience with atomic-scale modeling. Expertise in
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Physics, Chemistry, or Materials Science. A strong background in quantum mechanics, thermodynamics, and statistical mechanics. Documented experience in programming. A strong interest in atomistic modeling
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environment featuring a wide range of research activities, including QM/MM simulations, ionic liquid simulations, and excited-state characterization. The aim of this PhD thesis is the atomistic modeling
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-free double perovskites Your Profile: Master`s degree in theoretical or computational physics, chemistry, materials science or similar fields Familiarity with atomistic simulations, high-performance
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Job Description We invite applications for a 3-year PhD scholarship at DTU Energy. The project will integrate innovative physics-based atomistic modeling methods and data-driven inverse molecular
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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atomistic simulations, high-performance computing, and the application of AI-based methods Basic knowledge in photovoltaics and solid-state materials for energy application Ability to work individually and in
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models for atomistic systems (in chemistry or physics) is advantageous. The applicant should furthermore have a strong drive towards performing fundamental research; the ability and interest to work
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combining: Molecular synthesis Electrical contacting of nanoscale electronics Modelling of properties on an atomistic level The IHRS NanoNet offers an international scientific environment and an excellent