Quantemol workshop first spring announcement

QML Workshop 2015 right size banner
We are happy to announce this year’s Quantemol workshop. Please book Friday 11 September 2015 in your diaries to visit London. The workshop will focus on linking simulation with experiment, generously sponsored by CCPQ (Collaborative Computational Project Q – Quantum Dynamics in Atomic, Molecular and Optical Physics).

Morning talks will feature recent research developments from Prof. Mark Kushner (University of Michigan), Dr Peter Ventzek (Tokyo Electron, US) and Dr. Julian Schulze (West Virginia University) as well as Synopsys and Quantemol teams presenting.

The afternoon hands-on session will provide you an opportunity to try out Quantemol software: Quantemol-N, Quantemol-P and Quanteomol-VT as well as the Synopsys TCAD modelling software Sentaurus Topography, and see how they can be linked together.

Participation in the workshop is free of charge, but the number of places is limited, so please book early by contacting me if you are planning to attend. Location: central London, UCL. More detailed program will be announced in April.

We look forward to hearing from you.


Mobile alert


Now you can get alerts on your smartphone when your calculation has finished.
Quantemol has registered software with pushover service. It is allows to send push notifications to your phone (android/ios) or computer. Quantemol program sends an htpp POST request to Pushover website, and then they send a push notification to their app you have on your phone.

So now, if you leave a load of jobs running, or one big one, when it finishes you’ll get something like this:

phone alert2

You get multiple free notifications per month and the app is free for 5 days, and then $4.99. Try it out with Quantemol-N software!
If you are interested in this service get in touch with us (support@quantemol.com) and we will provide you an updated version of any of our software packages with it.

Kickstart to 2015 in Quantemol

Q-VT for Windows

We are glad to be in touch about some upcoming positive news:

  • First of all we are looking for a new Plasma Scientist to expand our team, please read more details here
  • Second great news is that we are planning another Quantemol workshop “Linking Simulations and Experiment” in London on 11th September 2015. The program and speakers will be announced by the end of March. Please make a note in your calendars and stay tuned. We are working on making this meeting really interesting.
  • Our phone number is changing so if you want to give us a call please use +44 (0)203 549 5841
  • This month we were visited by our CORINF project collaborator Dr Oleg Zatsarinny from Drake University, who is now working with us on providing high precision calculations for atomic cross sections, including relativistic effect. For more details see here or get in touch with us on info@quantemol.com.
  • Quantemol-VT is now available on Windows!
  • Our price list has changed, please find the 2015 version here.
  • Finally, enjoy our latest Quantemol-P video below:

Atomic cross sections calculations with CORINF visitor Oleg Zatsarinny (Drake University, USA), January 2015

Cornif Logo

This month Quantemol welcomed visiting professor Dr. Oleg Zatsarinny from Drake University, USA. Over several years Dr Zatsarinny has developed a relativistic method to model electron interactions with atoms based on the Belfast Atomic R-Matrix codes. This new method can be used to calculate elastic, inelastic, electron excitation, ionisation, differential and momentum transfer cross sections in addition to bound-structure calculations and importantly for CORINF collaboration on photoionisation cross sections. The approach calculates the atomic target and continuum orbitals using B-Spline basis sets as opposed to the standard Gaussian basis sets and is called the B-Spline and Dirac B-Spline R-Matrix method.


Quantemol can now offer relativistic atomic consultancy projects which deploy the Multi-Configuration Hartree Fock methods, developed by Professor Charlotte Froese Fisher, to calculate atomic target states and several modules from the Belfast Atomic R-Matrix codes as well as the B-Spline R-Matrix method.


Precise cross sections data produced by B-spline R-matrix provides an invaluable source of data on atomic spectrum and a theoretical base for measurements in optical spectroscopy and mass spectrometry as well as exploration of new sources of light.


Several calculations and reactions comparisons performed during Dr Zatsarinny’s visit are due for publication, submitted in collaborations to peer reviewed journals.


Quantemol is expanding its software suite to a include B-spline R-matrix component in addition to its existing software Quantemol-N which uses the UK Polyatimic R-Matrix method to model electron interactions with molecules, Quantemol-VT to model 2D low pressure plasma using Hybrid Equipment Plasma Model and Quantemol-P to design plasma chemistry sets with zero dimensional Global_Kin model. This new software will make the B-Spline R-Matrix method accessible for industrial use to calculate cross section data on atomic cross sections.


Please contact us for more information on our work in atomic electron and photon collision cross sections on info@quantemol.com.


Oleg Zatsarinny

Oleg visit 16

Oleg visit 3