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be delocalised, hence describable with standard DFT exchange and correlation, or localised and subject to strong correlations. This aspect and the local structural and compositional environment
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This PhD project aims to reduce—by approximately an order of magnitude—the time and computational effort required to evaluate point-defect energetics in technologically important mixed-anion
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Description Who We Are: The Cutsail research group at Ludwig-Maximilians-Universität (LMU) Munich is seeking a highly motivated PhD student / research assistant for full-time, on-site work in the
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of nanomaterials. Basic Qualifications BS and PhD in Chemistry, Physics or Materials Science. Excellent understanding of quantum mechanics, molecular dynamics, force fields for chemical systems. A good understanding
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at an Australian university; hold an appropriate visa to study in Australia (if international); be no further than one year (FTE) into a PhD candidature on commencing at CSIRO; hold a primary scholarship; for
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PhD position Development of interatomic potentials for Green Steels (1.0 FTE) (V25.0229) « Back to the overview Job description For the National Growth Fund (NGF) project “Groeien met Groen Staal
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Organisation Job description For the National Growth Fund (NGF) project “Groeien met Groen Staal” (GGS), a PhD position for the period of 4 years is available in the context of modelling green steel
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, HNMR, BET etc.) will be employed to characterize the carbon nanofiber structures. For molecular level, understanding, DFT modeling will be employed. The project would require fundamental investigations
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The section for Luminescence Physics and Technologies (LUMPHYS) at the Department of Physics, Technical University of Denmark (DTU), invites applications for a 3-year PhD position. This position is
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100%, Zurich, fixed-term The research group of Prof. Simonov at ETH Zurich is seeking a motivated PhD candidate interested in developing computational approaches for understanding disorder in