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


Merry Christmas and Happy New Year

Merry Christmas

happy new year candle wallpaper 2015

Merry Christmas and Happy New Year!

Best wishes from the Quantemol team

Dear Partners,

2014 was a great year for Quantemol!

  • we have started new collaborations and continued existing ones
  • we hosted another successful workshop in London and released new versions of Quantemol-VT and Quantemol-P
  • a new photoionisation module was added to Quantemol-N capabilities
  • a new team member, Dr. Sebastian Mohr joined us
  • and we met with some of you at conferences recently in USA and Japan.

The pdf versions of the posters from AVS and DPS are available here:

The Effect of Electron-Molecule Collision Cross Sections on Plasma Models“, 11 November 2014, AVS, Baltimore, USA

Photoionisation Cross Sections using Quantemol-N“, 28 November 2014, DPS, Yokohama, Japan

Thank you very much to all who are keeping in touch; we have more positive news and releases to come in 2015.
As this year is ending, we wish all difficulties also end with this year and 2015 brings success and desired results for you!

Warm wishes and best regards,
Quantemol team