VINEET GUPTA

Post Doctoral Fellow
Université de Franche-Comté
Institut UTINAM - UMR CNRS 6213
UFR Sciences et Techniques
16, Route de Gray
25030 Besancon Cedex
FRANCE

Tel: +33 (0)3 81665994
Fax: +33 (0)3 81666475
E-mail: vineet.gupta@utinam.cnrs.fr
         : vineetgupta7@gmail.com


Currently, my research involved in the development of the exact trajectory model in the semi classical computation of (vib)rotational line widths and shifts to the case of molecules assume an important place in the physical chemistry of the Earth's and planetary atmospheres.

My research interest lies in the field of computational chemistry and molecular modeling and their application to biological macromolecules. My research aims to expand the envelope of accurate simulations of vibrational spectra of larger and more complex systems of biological importance. The work involved in the development of parametric model for the calculation of vibrational scattering intensities of biological molecules with the use of molecular dynamics simulation. Recently, the work was succeed during my Ph.D. in Physics.

Recent publications (2009):

1. V. Gupta, K.S. Smirnov, D. Bougeard, P. Tandon. Electro-optical parameters for computation of nonresonance Raman scattering intensities of peptides. J. Chem. Theory Comput. 2009, 5 (5), 1369–1379.

2. P. Tandon, N. Kumar, V. Gupta, D. Chaturvedi, S. Mishra and V. D. Gupta. Conformational symmetry and vibrational dynamics of polymers. Pure Appl. Chem. 2009, 81, 549-569.