EVENT 18:00 - 19:30 UTC+1 (Paris, Stockholm)

Visual Interactive Analysis of Molecular Dynamics Simulation

Today, classical force field Molecular Dynamics (MD) simulations are routinely carried out in full atomistic detail for systems involving several million atoms over time scales ranging into the microsecond region and it has become an indispensable tool in the field of materials and life sciences. Those simulations are generating a wealth of data that must be analyzed, which is currently done with a multitude of decoupled tools for visualizing trajectories and extracting statistical data making an interactive exploration infeasible. Events of interest however are hidden in long time series and complex geometric structures. Therefore an interactive approach is fundamental for exploring the data and understanding the key geometrical parameters at play. For the last two years we have developed a visual environment for exploration of simulated molecules and their descriptive properties. The environment is built on tight integration of statistics, plots and visualization of the molecules. In this talk, I will illustrate how this tool has been used to explore interactively dataset connected to both material and life sciences, as for instance with the case of a biomarker used to detect amyloid fibril misfold related to Alzheimer’s disease.

Mathieu Linares

Associate Professor

Linköping University


18:30 - Online Fun Activity

When the ocean melts the Arctic sea ice

The Atlantic and Pacific Oceans carry a substantial amount of heat. When this heat reaches the Arctic Ocean, this can lead to the melting of large portions of the sea-ice cover. In the last decades, the Arctic sea-ice cover has been considerably reduced, and this loss is partly linked to the ocean heat transport. My research focuses on the interactions between ocean heat transport and Arctic sea ice using global climate models.

See personal website here

David Docquier




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