I have question related to molecular dynamics simulation. I had done the gas simulation of He gas using LAMMPS. In that simulation I simulated the Helium gas at three different temperature 300 K,100 K and 10 K. That molecular dynamics (MD) simulation of helium gas at 300 K,100 K and 10 K are performed using the LAMMPS package. The simulation initializes a periodic cubic simulation box filled with helium atoms, modeled using a Lennard-Jones (LJ) potential with specified parameters. The system undergoes energy minimization, followed by NVT ensemble (constant temperature and volume) to equilibrate at 300 K,100 K and 10 K, and then an NVE ensemble (constant energy and volume) for production runs. The simulation records key properties, including temperature, pressure, potential energy, mean square displacement (MSD), and velocity autocorrelation function (VACF) over 10 million timesteps (1 ns runtime). This setup enables the study of helium gas diffusion, viscosity, and thermal motion under specified conditions. As we know using LAMMPS we can do classical MD. but i want to consider Quantum effects in simulation. Like how the quantum effects will change the gas simulation at low temperature(10 K). For that i am learning quantum espresso(QE). so my main question is can we do the gas molecular dynamics simulation using QE? can we find the same outputs as I found out in LAMMPS? Please help as soon as possible.

IN advanced thank you.

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