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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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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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imposed pressure on the behavior of a polycrystalline material in the context of diffusion welding. In this work, we will combine molecular dynamics and level-set methods to study the motion of GBs and
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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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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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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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. The problem with classical molecular dynamics is that for molecules of this size atomistic simulations can be done on the time scale of picoseconds but the time scale of important biological processes such as