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Field
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/electrolyte interface for organic (in the case of calcium and magnesium) or aqueous (in the case of zinc) electrolytes using classical molecular dynamics under the effect of an applied field [2] (as it is done
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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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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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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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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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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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developing and applying modern plasma/HED simulation codes based on particle-in-cell and/or molecular dynamics and/or fluid dynamics methods. Expertise in using modern high performance computation facilities
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-pharmacology-and-drug-discovery ). The LINXS antibody research program combines experimental and theoretical/simulation efforts in collaboration with the National Institute of Standards and Technology NIST and
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22 Apr 2024 Job Information Organisation/Company Institute of Bioorganic Chemistry Polish Academy of Sciences Department Department of Molecular and Systems Biology Research Field Biological