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Doctoral or post-doc position in the simulation of mechano- or tribochemical processes in advanced hydrogen storage materials (metal, complex and organic hydrides) and degradation of contaminants in
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and applications. Excellent written communication skills, as evidenced in application materials. Preferred Qualifications Experience with molecular dynamics simulations and analyses, cheminformatics
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spectroscopy and molecular dynamics simulations: We develop and apply novel ultrafast spectroscopic methods aimed at uncovering how changes in light, environment and structure switch the function of photoactive
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articles (e.g. JCP 152, 2020, 210901). Candidates should have significant general experience in molecular dynamics/electronic structure and a PhD in computational/theoretical chemistry/physics. Please send
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with molecular simulation tools (GROMACS, CHARMM, etc) and/or multiscale and coarse-grained approaches, such as Normal Mode Analysis, Brownian Dynamics, etc. are a prerequisite. Extensive expertise in
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or equivalent Specific Requirements Required Qualifications PhD degree in Physical Sciences, Mathematics, Engineering, Computer Science or relevant disciplines. Previous experience in molecular simulations
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developing a protocol gathering an array of state of-the-art computational techniques: ab initio methods, molecular dynamics, enhanced sampling techniques (metadynamics, umbrella sampling) and machine learning
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Profound scientific knowledge and experience in: protein crystal structure analysis virtual screening, ensemble docking, molecular dynamics simulations ligand-protein interactions, protein-protein
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experience in Molecular Dynamics simulations Full details of the role and the skills and experience required, can be found in the attached job description which provided on the next page. We pride ourselves
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, Chemistry, Physics, Pharmacy, or a related discipline with expertise in computation, molecular dynamics simulation, and statistical mechanics. For a further description of current research projects see https