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Student or Postdoc (f/m/d) in the field of Theory and Methods for Non-equilibrium Theory and Atomistic Simulations of Complex Biomolecules Possible projects are variational free energy methods
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Université; and B. Laïk, UPEC) Where to apply Website https://emploi.cnrs.fr/Candidat/Offre/UMR8247-DIMMER0-007/Candidater.aspx Requirements Research FieldChemistryEducation LevelPhD or equivalent Research
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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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of these structures, thereby mediating replication, repair, transcription, and DNA damage response through protein barriers. Peptides from helicase motifs can be used to investigate atomistic details of G4-Helicase
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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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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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methods to simulate between functional chemically active surfaces and molecules/liquids. Central methodologies include: static DFT calculations; TBMD and AIMD; classical atomistic and coarse-grained
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. The Department of Chemistry and Materials Science is looking for: A Doctoral Researcher (PhD student) in Machine Learning for Surface Structures The Data-driven Atomistic Simulation (DAS) group, led by
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the study of nucleation mechanisms, the analysis of out-of-equilibrium energy and thermodynamic balances, and the validation of results by comparison with experimental data and atomistic simulations
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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel