Vacancy: Gaussian Integration with QEC

Quantemol is looking to hire an experienced coder with good knowledge of Gaussian software and Python programming language for a scientific project consultancy. The successful candidate will help with the implementation the integration of Gaussian with Quantemol’s QEC software.  The end code will enable​ ​us to run Gaussian to

  • Optimize the geometry of the molecule.
  • Identify the point group of the molecule.
  • Calculate HFSCF orbitals and MCSCF state averaged orbitals
  • Calculate cube density files
  • Calculate Energy, dipole moment and polarisability at HFSCF

It is preferable that the candidates have some familiarity with Molden text files format as well because their task will require to convert the output from Gaussian to a file that looks close enough to the Molden. It would be ideal if they have some experience with Gaussian API.

The estimated project timeline is between 3-6 weeks​ for the first stage. Compensation will be agreed based on candidates experience. Candidates from any locations are welcome.
Please contact Quantemol on for further details or send your CV with cover letter.