A new supercomputer capable of handling highly data-intensive calculations for the MPSDand the MPI for the Physics of Complex Systems (MPIPKS) has gone online. Computations which would previously have taken two to three weeks can now be carried out within a single day.
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The use of simulation tools can be complicated and time-intensive. Now a research team from the MPSD and Imperial College London (UK) has developed a workflow that allows researchers to spend far less time on the syntax and data formats of the simulation package and to work with the data immediately.
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A novel open source tool kit lets researchers drive simulations from Jupyter Notebooks, with narrative comments, the commands to execute the simulation and the final results. This new approach makes research more reproducible and efficient.
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A new Scientific Support Unit has been set up at the MPSD to expand the Institute’s computational research capacities. The new SSU Computational Science is led by Hans Fangohr, who was previously in charge of the European XFEL‘s Data Analysis activities.
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An international team of scientists, led by Kartik Ayyer from the MPSD, has obtained some of the sharpest possible 3D images of gold nanoparticles. The resuts lay the foundation for obtaining high resolution images of macromolecules.
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