All software new releases

Quantemol team had a very productive summer time and all three software packages have been updated. Key features are listed below. If you have any questions or would like to have a software trial, please get in touch:

Quantemol-N version 4.6 features:

  • Photoionisation for oriented molecules
  • Results viewer improvements
  • Ground state electrons configuration calculation improvement
  • PolyDSC calculations improvement, better handling asymmetric molecules

    Quantemol-VT version 1.2 features:

  • Added ability to set two frequencies on one electrode in the “Material Properties” tab
  • Added ability activate parallel version of HPEM in the “General Settings” tab
  • Added ability to set parameters for eMCS, PCMC, and particle acceleration in the new “Module Settings” tab

    Quantemol-P version 2.0 (available for trials next month) features:

  • Windows OS compatibility
  • Optimised parallel batch running
  • Enhanced error reporting

  • Quantemol-N Tutorial Videos

    Quantemol N Tutorial Videos


    Basic tutorial


    Using the NIST database


    Setting up basis sets


    Analysing results

    Summer update


    Quantemol is happy to announce a new addition to the team.

    Sebastian Pic web-site 2

    Dr. Sebastian Mohr has joined the Quantemol team as an expert plasma physicist and specialist in HPEM from the 2nd June. Sebastian has obtained his PhD degree at the Institute for Plasma and Atomic Physics, Ruhr-University Bochum in Germany, working on simulation and modelling of CCRF-discharges in hydrogen and hydrogen/silane with HPEM.

    Various different projects at Quantemol will be picked up by Sebastian. Currently he is interacting with customers to provide technical support, plasma physics consulting and also being responsible for the implementation, debugging and documentation of new capabilities in Quantemol-VT modelling expert system.


    Photoionisation Module Release


    The response of atomic systems to ionising radiation, the fundamental process of photoionisation, is a dominant process in the universe. Now you can calculate photoionisation cross-sections within our Quantemol-N suite. In addition to the new photoionisation module there have been several upgrades to Quantemol-N’s electron scattering calculation including the option to calculate the cross-sections for different molecular isotopes. If you wish to evaluate the software and see how it can help to obtain the cross-section data you need, please get in touch with us on

    Photo report from Quantemol Workshop 2014

    Quantemol team is grateful to everyone who made it to London last Friday and participated in our workshop “Linking simulation with Experiment”. We appreciated the in-depth talks and received very insightful and positive feedback for our software from the hands-on experience in the computer class. Please see the photo-report here.

    Pdf files from the workshop talks and tutorials will be uploaded to the workshop page shortly.

    Q-Workshop2014 (8)