03Jul
Das Physikalische Kolloquium: "HPC Approaches for Computational Neuromedicine"
Vortrag - Zusammenfassung:
Atomistic molecular dynamics simulations are a powerful tool for studying the mechanisms underlying biochemical processes. However, the size and complexity of these systems, which generally require a quantum-mechanical description, make it difficult to obtain statistically accurate results. Overcoming this problem can only be achieved by combining HPC resources, currently at the exascale limit, with algorithms capable of exploiting them to the full.
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