Learn molecular simulation, end to end.
A 90-day, hands-on program that takes you from building a system to running simulations and interpreting the results — the way it's done in computational chemistry and materials science. No prior experience needed, and no tuition. We mentor every applicant personally.
The common challenges.
Running a molecular simulation involves several steps, and each one has its own learning curve. These are the areas the program focuses on.
Building an initial structure
Placing molecules and setting up a valid box can be fiddly, and small overlaps can destabilize the whole run.
Parameterizing the force field
Assigning atom types and hunting down the right parameters is where most beginners get stuck for days.
Knowing which protocol to run
Minimize, equilibrate, NVT, NPT, how long? Choosing the right protocol for your question takes experience.
Measuring the right properties
You ran a simulation — now what do you actually compute to answer your question?
Interpreting the results
Reading the output well means knowing what "good," "wrong," and "converged" actually look like.
Visualizing what happened
Turning trajectories into clear, shareable figures of your system and its dynamics takes its own set of tools.
- A real, working skill — the same simulation methods used in drug discovery, battery research, and materials design.
- A real project you built yourself — set up, run, and interpret a molecular dynamics simulation end to end.
- The confidence to go further — you'll actually understand force fields, energy minimization, and what the numbers mean, not just click buttons.
- A head start most people never get — this is normally locked behind graduate courses and expensive software.
Students, researchers, engineers, and the genuinely curious — from chemistry and physics to materials, biology, and ML. If you're technical and want simulation in your toolkit, you're a fit. No background in simulation needed.
Each batch has just 15–30 seats. Because we mentor every participant personally, that's the number we can support at a time. We review every application by hand and select for fit and motivation, so admission is competitive — applying early gives you the best chance.