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atomistic simulations, using both density functional theory and classical molecular dynamics, on ultrathin films of a range of ferroelectric perovskites of technological interest. This position is supported
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thin films possessing the desired magnitude and direction of the polarization. The successful candidate will perform atomistic simulations, using both density functional theory and classical molecular
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. The successful applicant will investigate the structure, dynamics, and motility of the bacterial Type IV pilus (T4P) machinery in the model organism Thermus thermophilus using theoretical modelling, simulation
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signalling dynamics Downloading a copy of our Job Description Full details of the role and the skills, knowledge and experience required can be found in the Job Description document, provided at the bottom
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We are seeking a Postdoctoral Research Associate to support our projects to understand membrane evolution. The aim of this project is to use molecular dynamic simulations to understand membrane
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Multiphysics software (COMSOL and/or Abaqus), python/matlab coding and Molecular Dynamics Simulator (LAMMPs). 4. Publications in mechanical metamaterials, soft robotics, or related area in peer-reviewed
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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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dedicated to development, translation and clinical application within medical imaging and computational modelling technologies. Our objective is to facilitate research and teaching guided by clinical
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following: Quantum chemistry (preferably of excited states) Multiscale simulations/environmental modelling Excited state dynamics Data Science/Machine learning in chemistry/Cheminformatics Molecular dynamics
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research. We study the fundamental molecular, cellular, and physiological processes that underlie normal and abnormal cardiovascular and metabolic function, and drive the translation of this strong basic