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enables the simulation of a wide range of material properties, including energetics, atomic-level structures, vibrational characteristics, and electronic responses. Notably, Castep offers extensive
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, including energetics, atomic-level structures, vibrational characteristics, and electronic responses. Notably, CASTEP offers extensive spectroscopic features that directly correlate with experimental
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particular emphasis on Mathematical and Complexity-theoretic aspects of Constraint Satisfaction Problems (CSPs). The research project is the EPSRC-funded “Promise Constraint Satisfaction Problems: Structure
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of molecules is motivated by their rich internal structure, combined with the existence of controllable long-range dipole-dipole interactions, long trap lifetimes and strong coupling to electric and microwave
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"Nano-structured RC networks – a pathway to artificial skin" project. The primary objective is to develop a comprehensive simulation framework that bridges microscopic semiconductor morphology with
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structure-property relationships. Manage, plan and prioritise own research within the agreed framework of the project, including planning several weeks in advance to meet deadlines. Work with other colleagues
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structure. • Expertise in Python for molecule slowing simulations and experimental control software, including building GUIs and connecting with different hardware e.g., Arduinos and cameras
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of liquid-solid interfaces. The successful candidate will work in the group of Dr Stephen Cox and the broad aims of the project are to elucidate the structure and dynamics of complex liquid-solid interfaces
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, but is not limited to, research on mathematical structures, formal advancements in quantum field theory, and applications to high-energy physics, supersymmetry, and condensed matter systems
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experimentally and explored computationally. Improved second-generation catalysts will be designed following mechanistic insights, with the help of structure-activity relationships and computational predictions