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computational design and wet-lab validation to establish predictive structure–property relationships. Perform quantum chemical calculations (e.g., DFT/TD-DFT) to interpret electronic structure and excited-state
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academia, industry, and national laboratories Job Requirements: PhD in Materials Science, Chemistry, Physics, Computer Science, or a closely related discipline. Strong experience with Density Functional
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coupled effects of size exclusion, electrostatic interactions, hydration phenomena, and interfacial reaction kinetics. • Apply atomistic modeling and simulations (e.g., DFT, MD, AIMD) to provide molecular
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this project for external grant Job Requirements: A PhD degree in material sciences or applied physics, with focus on renewable energy Evidenced experience in DFT and machine learning especially its application
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using experimental and computational datasets. • Interdisciplinary collaboration and mentoring of MSc students and PhD researchers Specific Requirements • Conduct high-throughput DFT calculations and
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apply approximation methods for interpolating electronic/phononic/thermodynamic properties of disordered crystal materials. Design and implement high-throughput density functional theory (DFT) workflows
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, this position will involve laboratory management and supervision of MSc and PhD students conducting experimental work. The position will begin in the new Life Science Building , with access to state-of-the-art
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), taking advantage of the section’s expertise and facilities. In addition to conducting research, this position will involve laboratory management and supervision of MSc and PhD students conducting
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of) a PhD in organic chemistry and/or supramolecular chemistry. Experience with supramolecular chemistry, vesicle-based assays, DFT calculations, photophysical characterisation and/or cell biology will be
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. Applicants will be required to hold (or be near to completion of) a PhD in organic chemistry and/or supramolecular chemistry. Experience with supramolecular chemistry, vesicle-based assays, DFT calculations