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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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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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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
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Framework (Times Higher Education analysis of REF2021). You will develop and apply molecular simulation methods to model protein dynamics and interactions. This will include developing methods based
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Framework (Times Higher Education analysis of REF2021). What will you be doing? You will develop and apply molecular simulation methods to model protein dynamics and interactions. This will include developing
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We are seeking a Postdoctoral Research Associate to support our projects to understand membrane evolution. The aim of this project is to use molecular dynamic simulations to understand membrane