AI Challenge: MD simulations using LLMs

AI for science challenge: MD simulations using large language models

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Version 1.04 - published on 08 May 2024

doi:10.21981/63A4-KK31 cite this

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Abstract

AI for science challenge: MD simulations using large language models

 

Example aluminum potential can be downloaded from the supporting information [1].

References

[1] Ercolessi F, Adams JB. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method. Europhysics Letters. 1994;26(8):583. doi:10.1209/0295-5075/26/8/005

Cite this work

Researchers should cite this work as follows:

  • Juan Carlos Verduzco Gastelum, Ethan Holbrook, Saswat Mishra, Alejandro Strachan (2024), "AI Challenge: MD simulations using LLMs," https://nanohub.org/resources/aichallengemd24. (DOI: 10.21981/63A4-KK31).

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