not a classic simluation- a quantum simulation. This means they put a lot more work into representing the wave function of the simulation and modelling quantum effects.
They used quantum espresso.. undergrads usually run this in certain classes: https://www.quantum-espresso.org They didn't do any work there.
They used quantum espresso.. undergrads usually run this in certain classes: https://www.quantum-espresso.org They didn't do any work there.