Forskare vid Institutionen för fysik och astronomi, Röntgenfysik
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Box 516
751 20 UPPSALA
• Elucidation of excited state process and reaction dynamics in molecular systems. These include photochemistry and ultrafast dynamics in transition metal complexes and organic molecules which can unravel important aspects of fundamental photochemistry and photo-physics. Use of novel surface hopping excited state dynamics and MCTDH (based on LVC models) techniques to study ultra-fast dynamics in photo-physical processes.
• Simulation and understanding of X-Ray spectroscopic observables like from XAS / RIXS / XPS / XES experiments with the state-of-art electronic structure methods.
• Active member in various collaborations at different short pulse X-Ray facilities [LCLS (USA) & SwissFEL (Switzerland) X-Ray lasers and BESSY (Germany) SLS (Switzerland) & SSRL (USA) synchrotrons]
• Theoretical modeling of various time resolved spectroscopic techniques and predicting systems that can be studied using them.
• Application of state-of-the-art multi-reference quantum chemical techniques to novel chemical reaction pathways.
Charting out chemical reaction mechanisms for ground state reactions which are often extremely useful to experimental organic and inorganic chemists.
• Benchmarking studies of different quantum chemical methods and developing benchmark data sets for calibrating newly developed theories.
Spin forbidden reactions, and role of Spin-Orbit Coupling in them.
• Wavepacket dynamics
• Development of newer protocol to study core-level spectroscopies for larger systems including ones in condensed phase.
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