Everyone is talking about #digitalization, artificial intelligence and big data – but how do these methods help to discover new materials or make alloys more efficient? And why should experiment and #simulation go hand in hand?

Eslam Ibrahim explains how #computational science in this field combines programming and mathematical experience, advanced physics, chemistry and materials science. He presents “pyiron”, a Python based framework developed at the Max-Planck-Institut für Eisenforschung. It allows to implement and test simulation protocols and upscale them thus helps in saving time and costs of experiments.

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Weitere Informationen:

pyiron – an Integrated Development Environment (IDE) for Computational Materials Science

pyiron GUI

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