Q-VT software and integration of Q-N with Molpro

Quantemol is happy to announce the release of Quantemol-Virtual Tool (Q-VT) v1.0.

A new software tool based on HPEM codes which includes enhanced features to improve the user experience when setting up a simulation:

  • Easy to use python interface with simple workbook style file system, for easy management of simulation projects
  • Optimization tab: an automated jobs set up with variations across parameter space to be set running overnight and suggesting the most stable range of parameters.
  • Chemistry input improving (pulling existing data from the database i.e reducing human error)

Viewing outputs:

  • Easy plotting and exporting (tab delimited files) of simulation data
  • Vector representation of fluxes
  • Pseudo 2D visualization of chamber
  • Measuring fluxes above the wafer output plotting (for Surface Kinetics Module)
  • Plotting Ion flux on wafer level: IEDF (Ion Energy Distribution Function) IADF (Ion Angular Distribution Function) and radial fluxes

In other news is that Quantemol-N new release (v 4.2.1) includes a new feature: integration with Molpro software. For those using Molpro to calculate molecular geometry, the calculation outputs can now be used straight forward as inputs in Quantemol-N.

Please contact anna@quantemol.com if you would like to book a web-demonstration of Q-VT or Quantemol-N software.