Leibniz Fast Calculation Competition - Accelerating Diffusion Calculation.

Data and Resources

• Readme.txtTXT

  Overview of the inputs provided by the organisers File size: 1.2 KByte

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• Competition Starting Data_Data and Resources.zipZIP

  These data files are provided by the organizers for participation in the... File size: 244.5 KByte

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• Participant 1_Submission.zipZIP

  Restart-Based Ensemble MD Dataset for Diffusion Analysis This repository... File size: 1.6 MByte

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• Restart Ensemble MD Dataset (Participant 1)

  Complete dataset: raw outputs, MSD data, and processed results

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• LAMMPS User Interface with Textual (Participant 1)

  This repository provides the simulation workflow and analysis scripts,...

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• Readme_Participant1.txtTXT

  undefined File size: 818.0 Byte

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• Participant 2 _Submission.zipZIP

  Methodology results and discussion File size: 4.5 MByte

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• Participant 1 submission incl Googledrive and...ZIP

  undefined File size: 184.5 MByte

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