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Entitlement: 33 days annual leave, plus 9 buildings closed days for all full time staff. Use our total rewards calculator: https://www.hw.ac.uk/about/work/total-rewards-calculator.htm to see the value
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of residuals at the atomic scale and how they interact with other alloy additions, with migrating and transforming boundaries. This grant will bring together atomistic modelling (at Imperial College), atomic
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biophysics/chemistry/physics and related fields Experience with Molecular Dynamics using coarse grained or atomistic models Advantage is experience with simulations of disordered proteins/polymers and
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) Requirements for candidate: MSc in computational biophysics/chemistry/physics and related fields Experience with Molecular Dynamics using coarse grained or atomistic models Advantage is experience with
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computational methodologies, ranging from atomistic and electronic-structure–based materials modeling and characterization, via machine-learning and high-throughput methods, to ab initio calculation
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and Simulation Group at ICN2 conducts cutting-edge research in computational materials science, focusing on electronic structure methods, atomistic simulations, and multiscale modelling. The group
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, particularly machine-learned interatomic potentials, in the context of chemical research. Knowledge of atomistic and coarse-grained classical force fields. Experience creating and maintaining scientific software
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) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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practices. Preferred Knowledge, Skills, and Abilities: You have experience with electronic-structure or atomistic simulation workflows (e.g., VASP, Quantum ESPRESSO) and associated Python tools such as ASE