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Field
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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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RAP opportunity at National Institute of Standards and Technology NIST Models and Protocols for Accelerated Simulations of Molecular Interactions and Dynamics Location Information Technology
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date is (expected to be) 1st November 2025 or as soon as possible thereafter. The project Join a cutting-edge project unraveling the molecular dynamics of phage-bacteria warfare to combat antibiotic
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. The successful applicant will investigate the structure, dynamics, and motility of the bacterial Type IV pilus (T4P) machinery in the model organism Thermus thermophilus using theoretical modelling, simulation
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applications. This position is within AI Models group based in Leuven, Belgium At imec, we are strengthening our AI Models team to build expertise in hybrid simulation approaches (Molecular dynamics and Machine
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more than 300 researchers, engineers, and students working across analytical chemistry, physico‑chemistry, environmental science, and materials science. CAPT combines quantum chemistry, molecular dynamics
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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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and development activities in the fields of atomistic simulations, including density functional theory, machine learning, and molecular dynamics. The work involves theoretical and experimental research
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related field, OR currently enrolled in a PhD program in these fields Experience with molecular modeling techniques, such as molecular dynamics simulations, quantum mechanics, protein structure prediction
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macromolecular dynamics with statistical mechanics, molecular simulation at different resolutions, machine learning, and experimental data. Our group works on the definition and implementation of strategies