Ambar Banerjee
Researcher at Department of Physics and Astronomy; X-ray Photon Science
- E-mail:
- ambar.banerjee@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
752 37 Uppsala - 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, Regementsvägen 10
752 37 Uppsala - Postal address:
- Box 516
751 20 UPPSALA
- CV:
- Download CV
- ORCID:
- 0000-0001-6113-7033
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
Part of The Journal of Physical Chemistry Letters, p. 11830-11838, 2024
- DOI for Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
- Download full text (pdf) of Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
Part of Inorganic Chemistry, p. 10634-10647, 2024
- DOI for Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
- Download full text (pdf) of Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
Part of Physical Chemistry, Chemical Physics - PCCP, p. 5344-5355, 2024
Part of Chemistry - A European Journal, 2024
- DOI for Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
- Download full text (pdf) of Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
Part of Journal of the American Chemical Society, p. 14000-14011, 2024
- DOI for Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
- Download full text (pdf) of Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
All publications
Articles in journal
Part of The Journal of Physical Chemistry Letters, p. 11830-11838, 2024
- DOI for Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
- Download full text (pdf) of Different Photodissociation Mechanisms in Fe(CO)5 and Cr(CO)6 Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations
Part of Inorganic Chemistry, p. 10634-10647, 2024
- DOI for Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
- Download full text (pdf) of Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
Part of Physical Chemistry, Chemical Physics - PCCP, p. 5344-5355, 2024
Part of Chemistry - A European Journal, 2024
- DOI for Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
- Download full text (pdf) of Simulating Non‐Adiabatic Dynamics of Photoexcited Phenyl Azide: Investigating Electronic and Structural Relaxation en Route to the Formation of Phenyl Nitrene
Part of Journal of the American Chemical Society, p. 14000-14011, 2024
- DOI for Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
- Download full text (pdf) of Photochemical Formation and Electronic Structure of an Alkane σ-Complex from Time-Resolved Optical and X-ray Absorption Spectroscopy
Part of Chemical Science, p. 2398-2409, 2024
- DOI for Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering
- Download full text (pdf) of Accessing metal-specific orbital interactions in C–H activation with resonant inelastic X-ray scattering
Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
Part of Journal of the American Chemical Society, p. 21569-21575, 2023
- DOI for Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
- Download full text (pdf) of Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha's Rule
Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2023
- DOI for Simulating fluorine K-edge resonant inelastic x-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics
- Download full text (pdf) of Simulating fluorine K-edge resonant inelastic x-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics
Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
Part of Inorganic Chemistry, p. 16854-16866, 2023
- DOI for Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
- Download full text (pdf) of Simulations of the Aqueous "Brown-Ring" Complex Reveal Fluctuations in Electronic Character
A Δ-learning strategy for interpretation of spectroscopic observables
Part of Structural Dynamics, 2023
- DOI for A Δ-learning strategy for interpretation of spectroscopic observables
- Download full text (pdf) of A Δ-learning strategy for interpretation of spectroscopic observables
Tracking C–H activation with orbital resolution
Part of Science, p. 955-960, 2023