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Field
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drag reduction in graphene with a combination of electronic structure methods and large-scale atomistic molecular dynamics (MD) powered by machine learning and high-performance computing (HPC). The first
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molecular dynamics simulations of its oxidation. The method will then be applied to new systems, therefore less known, with a view to predicting their behavior under oxidation
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analytics and offers a flexible environment for solving the largest and most challenging problems in computational science. Molecular dynamics simulations are very popular on PSC’s flagship supercomputer
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reported to target different virus (e.g. West Nile Virus) immunogenic epitopes. The WNV epitopes-NP complexes will be addressed within a multiscale approach including all atoms molecular dynamics, ab initio
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MOLECULAR GENETICS (IN-MOLG-IUINA) One of the first human genetics departments in the country, the Department of Medical and Molecular Genetics at IU School of Medicine has a rich history of
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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
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Group to work on the HRZZ (Croatian Science Foundation) project "Hybrid modeling for excited states in novel molecular materials: from optical properties to exciton dynamics". Requirements Research
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molecular simulations, which must characterize the DNA aptamers; their bonding with the electrodes and redox molecules; their dynamical fluctuation trajectory in solution, under realistic conditions; the
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multiplicities and for the associated nuclear quantum dynamical simulations. This Ph.D. project is fully funded by the ANR, French National Research Agency and it makes part of an international consortium
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Biology. This work will involve using a broad range of developmental, cell, molecular biology and single-cell sequencing techniques to understand how neural crest cells contribute to normal development