Published April 15, 2026 | Version v1

How big Data Processing helps with Molecular Dynamics Data Processing - EXAKI training

Description

Molecular dynamics simulations produce enormous volumes of valuable data, but turning them into useful insight is challenging. In this training, David Číž (IT4Innovations) presents how the EXA4MIND extreme data platform automates simulation data processing using extracting key metadata and preparing results for efficient analysis. The end-to-end workflow demonstrates how modern data orchestration accelerates research in computational chemistry and materials science.

Files

Airflow Valeo Presentation.pdf

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Additional details

Funding

European Commission
EXA4MIND - EXtreme Analytics for MINing Data spaces 101092944

Dates

Accepted
2026-02-18