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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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for the creation of 3D products, as it allows us to overcome the main limitations of current additive technologies. This research is aimed at the development of numerical models based on molecular dynamics approach
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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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industries, models which are able to quantitatively link the surfactant molecular structure to the final micellar properties are lacking. We propose to investigate these systems by using molecular simulation
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solutions, protein solutions, charged colloid solutions, and even low-molecular mass salt species. This research opportunity involves phase diagram, structure, and dynamics of polyelectrolyte solutions and
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, Terahertz Photonics, Cosmology, Quantum Transport, Photon Scattering, Ab Initio Calculations, Molecular Dynamics, Monte Carlo Simulations, Photonics simulation, metamaterials, and more. Candidate Profile: The
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, including 2D Semiconductors, Terahertz Photonics, Cosmology, Quantum Transport, Photon Scattering, Ab Initio Calculations, Molecular Dynamics, Monte Carlo Simulations, Photonics simulation, metamaterials, and
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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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to an abundance of point defects, which change the mechanisms by which plastic deformation occurs, and empirical data are limited. In this project, you will use classical molecular dynamics simulations to study the
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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