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Courses / Undergraduate / ME

ME 419

Molecular Modeling of Soft Matter

Gaurav Arya

Description from DukeHub

Fundamentals and application of statistical mechanics and molecular simulations towards modeling biological and soft materials. Students will learn a variety of computational techniques including energy minimization, molecular dynamics simulations, Monte Carlo simulations, and stochastic dynamics simulations. Students will obtain valuable hands on experience in using molecular simulation software, visualizing molecular systems, and analyzing simulation data for computing material properties. Prerequisites: Basic programming skills in C, MATLAB, Fortran, or Python. Basic undergraduate-level understanding of concepts in mathematics, physics, and chemistry.

Skills

AI-resilient: 0 of 5

  • No: Physical, lab or field work
  • No: Live work with people
  • No: Judgment someone is accountable for
  • No: A craft you practice with your hands or body
  • No: Small, in-person format

The checks lean on Microsoft Research, Working with AI (2025), which found generative AI applies least to physical work and hands-on work with people. A signal, not a promise. How the score works

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