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. Experience with molecular dynamics software such as LAMMS is desirable. Experience with molecular simulation software is beneficial. To apply please contact Dr Siperstein - flor.siperstein@manchester.ac.uk
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including pristine and defective Li2O, LiOH, LiH and their major surfaces. The simulations will be used to train machine-learned forced fields (MLFFs) to explore hydrogen diffusion using molecular-dynamic (MD
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molecular dynamics software X-SH. Your implementation will then be used to simulate the dissociation of excitons to charge carrier in organic solar cell materials or the conversion of a temperature gradient
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as ligands. The fundamental science behind the selective enrichment of lithium-6 by solvent extraction is poorly understood. This project will combine molecular quantum mechanics and molecular dynamics
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, making a new model which is suitable for a variety of polymer systems. This will involve integrating molecular dynamics simulations, electronic structure calculations, and machine learning techniques
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. In collaboration with Unilever, this project will develop hybrid models that combine physics-informed simulations and machine learning to predict and optimise the rheological properties of surfactant
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dynamic campus in Espoo, Greater Helsinki, Finland. Diversity is part of who we are, and we actively work to ensure our community’s diversity and inclusiveness. This is why we warmly encourage qualified
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molecular dynamics simulations, and associated analysis. Applicants should have, or expect to achieve, at least a 2.1 honours degree or a master’s (or international equivalent) in a relevant science or
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, high vacuum apparatus and instrumentation, charged particle manipulation and detection systems, signal processing and scientific programming, quantum chemical calculations and molecular dynamics