Day #4 of Posting AI Engineering Insights : Molecular Dynamics Simulations Ran my first MD simulation, an NVT ensemble and it’s fascinating to see the system evolve in real time. In the video: > The XTC trajectory shows particle velocities equilibrating under constant Number, Volume, Temperature. > The system settles into a stable temperature distribution, exactly what we expect from an NVT run. > Watching atomic motions gives immediate intuition about energy fluctuations and equilibration dynamics. You can just do things with AI, you can learn, run, and experiment with anything. Starting from MD simulations to complex engineering workflows without years of trial-and-error. #MolecularDynamics #AIEngineering #NVT #XTC #LearnByDoing #ComputationalScience #AI

To view or add a comment, sign in

Explore content categories