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Field
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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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, and analysis. Specifically, the project will employ a multidisciplinary approach combining molecular dynamics, coarse-grained simulations, and continuum structural mechanics with structural and dynamic
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properties of phase transitions involving magnetism, elasticity, dielectricity, etc. by applying and developing computational methods such as classical and quantum Monte Carlo simulations, molecular dynamics
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thin films possessing the desired magnitude and direction of the polarization. The successful candidate will perform atomistic simulations, using both density functional theory and classical molecular
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Job Description Job Responsibilities -Conduct molecular dynamic (MD) simulations of the interactions of biological toxins including alpha-toxin, pyocyanin, and pyoverdine with clay natural and modified
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the application of molecular dynamics simulations to molecular systems, ideally in both methods and applications. Experience in Atmospheric Water Harvesting, metal organic framework modelling and machine learning
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The researcher will study the potential of atto-photochemistry on organic or inorganic photoinduced reactions. He or she will use quantum chemistry and molecular dynamics methods to do so. The overall objective is
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | 2 days ago
properties and a variety of potential applications. Application of the molecular dynamics methods combined with the approach based on the thermodynamic models of multicharged surfactant adsorption can provide
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Sciences Division (CSD), Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). The postdoc will perform molecular dynamics simulations, statistical mechanics (e.g., rate theory) and
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/andreas-kohler/ Project description While protein quality control (PQC) systems for mitochondrial proteins encoded by nuclear DNA are well studied, the molecular basis of PQC for mitochondrially encoded