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Field
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) methods to tackle challenging molecular engineering problems in life sciences and materials design. Situated in the Data Science and AI division, our group advances generative models, molecular simulations
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of how these devices function. Electron Spin Resonance (ESR) spectroscopy allows us to selectively detect these electron spins and to characterise their molecular environment, gaining a molecular-level
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computational chemistry and biochemistry studies as directed by Prof. William Goddard within the Materials and Process Simulation Center in the Division of Chemistry and Chemical Engineering Essential Job Duties
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during downstream processing. Theoretical investigation of molecule stability during DSP, using molecular interaction simulations such as e.g. Molecular dynamics (MD). Combination of PAT and data driven
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, to industrial catalysis and green energy production. The aim of this PhD project is to study hydrogen colliding with surfaces at a fundamental, molecular level to gain unprecedented insight into the role
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, molecular biology, and stress signalling. Your main responsibilities will include: characterising peptide-receptor interactions and their downstream effects on cell wall integrity and salt stress responses
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analysis methods. You will gain expertise in integrating experimental total scattering and high-resolution imaging data with artificial intelligence and atomistic simulation tools to overcome current
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the two leaflets. However, most studies to date have focused on symmetric bilayers. This project addresses this gap by integrating molecular dynamics simulations with experimental techniques such as solid
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into interfacial thermal transport. The goals are to: run ab-initio molecular simulations to sample relevant nanomaterial/liquid interfaces. construct new MLPs by using generated data from 1. and validate them. use
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modelling of laser shock peening. Molecular Dynamics (MD) and Finite Element (FE) simulations will be combined to account for the complex physical phenomena and their different scales. The interdependence