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growth and polymorph selection within the context of the ERC Consolidator Project ht-MATTER - High Throughput Modelling of Molecular Crystals out of Equilibrium. The appointment is for 3.5 years
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Project Title: Quantum and Classical Molecular Dynamics - Accelerated Classical Mechanics Closing Date: 29 April 2024 at 23:59 Eligibility: UK Applicants only Funding EPSRC Doctoral Training
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should allow us to treat bigger molecular systems faster and more accurately. This project is focused on quantum wave packet dynamics. Chemical dynamics is about rearranging nuclei whose motion is often
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interpret the ageing results obtained from the experiments as well as to identify potential new ageing markers. Computational chemical modelling which also called Molecular Dynamic (MD) simulation is becoming
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dynamics, from the molecular to cellular level. This will contribute to our understanding of the fundamental mechanisms that underlie protein stability, drive biological processes and contribute
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investigate the thermal break-up of pure polymers and composites under high temperatures and fast heating rates through molecular dynamic simulations. For a position as a PhD Candidate, the goal is a completed
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simulations techniques such as molecular dynamics and/or Monte Carlo simulations. The project will initially be expected to focus on diffusion and solubility of gases in model polymers, though other material
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. Department: Randall Cell & Molecular Biophysics. Contact details:Dr. Angika Basant. [email protected] Location: Guy's Campus. Category: Research. Job Description Applications are invited for a
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for Solving Real-World Problems Using Quantum Dynamics: Coherent States for Molecular Simulations (COSMOS). It will be based in Prof. Thomas Penfold’s Theory and Computational Chemistry research group
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and/or OpenMM. Experience in developing coarse-grained models, polymer models, and/or in developing and applying Molecular Dynamics and/or Monte Carlo simulations to biomolecular systems or condensed