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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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for Molecular Chemistry” to start as soon as possible. What you will do Literature research and identification of promising use cases for quantum computing in molecular chemistry Simulation of Hamiltonian
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work on molecular dynamics simulations, where molecular interactions are predicted by neural network potentials. These state-of-the-art neural network models promise simulations at unprecedented accuracy
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candidate would lead dynamic research in materials simulations, developing and applying a range of methodologies. Current strengths of the institute are to be continued. These include density functional
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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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applications: Establish a light-induced multi-physics and multiscale phase change simulation platform, which allows us to capture LAI and couple molecular information into macroscopic phase change simulation