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Field
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learning for materials discovery or quantitative image analysis, DFT calculations for catalyst design, experiences with MATLAB / Python / AutoCAD / COMSOL • Organic synthesis, polymer chemistry, synthesis
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characterisation of thermoelectric materials and thermoelectric generators; Demonstrate expertise in DFT calculations or or finite element analysis of thermoelectric materials and devices; Evidence of publications
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. Operate within an area of specialism (can include alloy design & modelling – CALPHAD/DFT/ICME, experimental alloy production, advanced characterisation (SEM, EBSD, TEM, STEM, APT, diffraction), and/or
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catalysis. Strong programming skills in Python; experience with scientific computing and data analysis. Experience with first-principles calculations (e.g., DFT), molecular dynamics, or machine learning
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interdisciplinary teams. • For experimental applicants: hands-on experience with synthesis and characterization equipment. • For theory/AI applicants: experience with DFT, MD, MLIPs, or AI/ML frameworks.
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astronomical nitriles. • Performing data analysis including vibrational spectroscopy, mass spectrometry, X-ray and neutron diffraction crystallography. Perform supporting computations such as DFT calculations
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health products, e.g. toothpaste. The simulations will utilize molecular dynamics and first principles DFT codes to model enamel surfaces and their interactions with the environment of the mouth. You will
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that operate at room temperature. In this project, Density Functional Theory (DFT) calculations will be used to simulate defect structures of h-BN, like substitutional, vacancy and interstitial defects
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(DFT) simulations and develop machine learning potentials to investigate zeolite-related systems. The role will focus on delivering research projects and promoting research excellence in this area. The
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of solid-state materials, with experience in density functional theory (DFT) and/or machine learning interatomic potentials. We welcome applicants with a broad range of research interests and experiences who