Two 2-Year Postdoctoral Positions in Nonadiabatic Dynamics and Fragment-Based Electronic Structure development – Ruđer Bošković Institute, Zagreb, Croatia(Deadline:26.06.2026)
two open 2-year postdoctoral positions in the Theoretical Chemistry Group at the Ruđer Bošković Institute (Zagreb, Croatia).
The adverts with instructions for application can be found here and here. Feel free to contact us for any additional information.
The first position is in the team of Marin Sapunar within the EasyWFO project:
The project aims to extend existing protocols for the analysis of excited state wave functions based on wave function overlap integrals to real-world applications involving large and flexible molecules, building a toolkit to significantly simplify everyday tasks in photochemical simulations. See here for a description of the methodology which will be extended and here for an example application.
In this context, the postdoctoral fellow will contribute to the development and implementation of algorithms for black-box analysis and comparison of excited state wave functions across different electronic structure methods and nuclear configurations.
The second position is in the team of Tomislav Piteša within the ECI2GAME project:
The first part of the project aims to equip the ECI method for fragment-based calculations of electronic states (10.1021/acs.jctc.4c00157, 10.1021/acs.jpclett.5c00065) with all electronic-structure quantities required for surface-hopping nonadiabatic-dynamics simulations.
In this context, depending on their preferences and expertise, the postdoctoral fellow will contribute to (i) theory development for ECI energy gradients, wave function overlaps, and/or spin-orbit couplings, and (ii) implementation of the corresponding algorithms in the ECI module of the SHARC package.
In this context, depending on their preferences and expertise, the postdoctoral fellow will contribute to (i) theory development for ECI energy gradients, wave function overlaps, and/or spin-orbit couplings, and (ii) implementation of the corresponding algorithms in the ECI module of the SHARC package.
The final goal is to enable efficient SHARC-ECI simulations of photoinduced processes in multichromophoric systems.
The position involves close collaboration with the González group at the University of Vienna, including possible short visits.
For both positions, a strong candidate should have solid programming skills, as well as experience in surface-hopping dynamics and/or electronic-structure methods for excited states.
