ESR 2: Vishal Kumar Jaiswal

Modelling the bidimensional ultraviolet spectroscopy of structural and photoinduced processes in DNA systems and their aggregate

Host: Prof. Marco Gavarelli

B7: Department of industrial Chemistry “Toso Montanari”

LightDyNAmics Research

Development and application of a multiscale computational approach to model two-dimensional ultraviolet (2DUV) spectroscopy for tracking structural heterogeneity and photo-induced events in DNA systems and their aggregates. Development of an analysis toolbox for non-linear transient spectroscopy to extract mechanistic information and assist experiments interpretation. Training: QM and QM/MM calculations, simulation of 1D/2D spectra.

Scientific Background

Bachelor of Technology – IIT GUWAHATI.

MASTERS in ATOSIM (Atomic Scale Modelling of Physical, Chemical and Bio-molecular Systems) from (ENS de Lyon, Sapienza – Università di Roma, University of Amsterdam ) with focus on statistical physics.
Research Internship at University of Bologna under Dr. Garavell where the work involved exploring conformational landscape of solvated DNA/RNA nucleobase dimers by classical mechanics and then modelling their excited states to simulate multidimensial experimental spectroscopy of such systems.

Scientific Publications

Piotr Kabaciński (ESR1), Marco Romanelli, Eveliina Ponkkonen (ESR11), Vishal Kumar Jaiswal (ESR2) , Thomas Carell, Marco Garavelli, Giulio Cerullo, Irene Conti (2021) Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives. The Journal of PhysicalChemistry Letters
Rocío Borrego-Varillas, Artur Nenov, Piotr Kabaciński (ESR1), Irene Conti, Lucia Ganzer, Aurelio Oriana, Vishal Kumar Jaiswal (ESR2), Ines Delfino, Oliver Weingart, Cristian Manzoni, Ivan Rivalta, Marco Garavelli, Giulio Cerullo (2021) Tracking excited state decay mechanisms of pyrimidine nucleosides in real time. Nature communications