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Computational modelling of molecular optical activity

  • Full or part time
    Prof P Bour
  • Application Deadline
    Sunday, February 23, 2020
  • Competition Funded PhD Project (Students Worldwide)
    Competition Funded PhD Project (Students Worldwide)

Project Description

Spectroscopic methods using optical activity provide unique information about molecular structure and behavior. The interpretation of such spectra, however, is a challenging process, typically involving a combination of molecular dynamics and quantum chemical computations. We will focus on the development of theoretical tools needed to describe the latest experimental observations, such as resonance Raman optical activity and anharmonic vibrational spectral bands of molecules.

How to apply

To apply for a PhD study at IOCB Prague, you must hold a Master’s degree (MSc) or the equivalent of the MSc in similar field (four or five year undergraduate degree). The application can be submitted before obtaining the Master’s degree, however, the applicant should obtain the degree within five months after the application deadline.

For more information visit our website “Call for PhD applications 2020”:

If you decided to apply, please do so online via our application form:

Funding Notes

Regular monthly income of students at IOCB Prague varies depending on the faculty scholarship and supervisor's financial options.


Keiderling, T. A.; Bouř, P. Phys. Rev. Lett. 2018, 121, 073201. “Theory of Molecular Vibrational Zeeman Effects as Measured with Circular Dichroism.”

Hudecová, J.; Profant, V.; Novotná, P.; Baumruk, V.; Urbanová, M.; Bouř, P. J. Chem. Theory Comput. 2013, 9, 3096−3108. “CH Stretching Region: Computational Modeling of Vibrational Optical Activity.”

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