In this video tip of the week, we’ll show how easy it is to run several PLAMS jobs through the SLURM queueing system, both on one and across several nodes. See also the PLAMS cookbook...
The diffusion coefficient follows an Arrhenius behavior with respect to the temperature. In this video, we show how to calculate and visualize the prefactor D0 and barrier ΔE with the help of a PLAMS workflow...
In this video tip of the week, Ole combines two workflows from the PLAMS manual for a quick example of automatic substituent screening with successive filtering by TD-DFT excitation energies.