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Sampling with Agents: a Hackathon for Molecular Simulation

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Location

Event Information

Sampling with Agents: a Hackathon for Molecular Simulation
Date of Event
8th December 2026
Last Booking Date for this Event
30th November 2026

Description

The idea is to bring together researchers working in molecular simulation, statistical mechanics and enhanced/path sampling to work hands-on with AI coding agents on genuine scientific and software challenges.

Ideally we expect participants to have 
 
  • a laptop with a web browser and a normal coding environment;
  • Git/GitHub access if they use it;
  • access to any simulation or analysis software they expect to work with;
  • if relevant, their usual VPN/SSH access to institutional computers;
  • access to an AI coding agent such as Claude or Codex if they already have it.

It would be very helpful if people have their own Claude/Codex subscription or institutional access, but if you need some help, please let us know in advance and we can make some arrangements.

Attendee CategoryCost   
Registration£50.00
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