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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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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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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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formulation to exploit the complementary information that can be obtained in simulation and experiment, to combine the approximate but high-resolution structural and dynamical information from computational
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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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done research in at least of these fields: atomic physics, molecular physics, nonlinear optics, theoretical chemistry, ultrafast dynamics. Desirable: You have experience reading and understanding
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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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Postdoc (f/m/d): Machine Learning for Materials Modeling / Completed university studies (PhD) in ...
to collaborative software development and version control systems (Git) # Experience with electronic structure and molecular dynamics simulation codes (VASP, QuantumEspresso, CP2K, LAMMPS) # Motivation to work
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drug development to inhibit or deregulate disaggregase activities. We want to dissect the molecular basis of ClpG and ClpL activity control. How is the activity of the disaggregases repressed in absence