Ambar Banerjee
Researcher at Department of Physics and Astronomy; X-ray Photon Science
- E-mail:
- ambar.banerjee@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
Researcher at Department of Physics and Astronomy; X-ray Photon Science; Chemical and Bio-Molecular Physics
- E-mail:
- ambar.banerjee@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
- CV:
- Download CV
- ORCID:
- 0000-0001-6113-7033
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Research
Google Scholar Link: https://scholar.google.com/citations?user=gfj8d4MAAAAJ&hl=en
• 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.
Publications
Recent publications
- Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering (2024)
- Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution (2024)
- Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide (2024)
- Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy (2024)
- Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling (2024)
All publications
Articles
- Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering (2024)
- Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution (2024)
- Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide (2024)
- Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy (2024)
- Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling (2024)
- Simulating fluorine K-edge resonant inelastic x-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics (2023)
- Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character (2023)
- Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule (2023)
- Tracking C–H activation with orbital resolution (2023)
- A Δ-learning strategy for interpretation of spectroscopic observables (2023)