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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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molecular dynamics simulations and was specially designed for parallelisation on GPUs. It is open source and licensed under the LGPL. Details can be found on the website https://halmd.org Job-Description
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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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during downstream processing. Theoretical investigation of molecule stability during DSP, using molecular interaction simulations such as e.g. Molecular dynamics (MD). Combination of PAT and data driven
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property prediction, modern artificial intelligence methods, molecular dynamics, and interdisciplinary research, this is your chance to be part of an exciting journey at the forefront of science and
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, carbohydrate-active enzymes, polymer chemistry, spectroscopic methods, material science, 3D-printing, statistical physics and molecular dynamic simulations, formulation technologies. Excellent communication
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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
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time-scales: ab initio methods for the description of reaction processes, for the determination of electrochemical stabilities and for the optimisation of force fields; molecular dynamics simulations
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spectroscopy for developing new NMR experiments Theoretical chemistry for simulating the nuclear spin dynamics in molecules Experimental physics for building electromagnetic spectrometer equipment to control