I am continuously looking for interested and motivated PhD students to join my research group.
If you are interested, please send me a brief email stating your research interests. However, you have to apply online; During online application, please mention "Computational Chemistry " as the first preferred area.
Available JRF/RA position in DST sponsored project:
If you are interested, please send me a brief email stating your research interests along with CV.
Applications will be considered till the availability of suitable candidate through selection process.
Field / Discipline: Computational and Theoretical Chemistry
Our research is aimed at an understanding of molecular and spectral diffusion processes using first principles and multiscale molecular dynamics simulations in the fields of physical chemistry and biophysics.
Research projects:
Electrolytes for energy storage applications
Ionic liquids as solvents for bio-solvation
Materials for alternate energy sources
Self-association and organic electronics
Ultrafast spectroscopy
Methods: Classical and first principles molecular simulations
Softwares: CPMD, CP2K, Gromacs, Amber, Gaussian09, Codes developed by our group
Few snapshots:
Sohag Biswas, Debashree Chakraborty and and Bhabani S. Mallik
Interstitial Voids and Resultant Density of Liquid Water: A First Principles Molecular Dynamics Study
ACS Omega, 2018, 3, 2010-2017
DOI: 10.1021/acsomega.7b01996
Protic Ammonium Carboxylate Ionic Liquids: Insight into Structure, Dynamics and Thermophysical Properties by Alkyl Group Functionalization
Physical Chemistry Chemical Physics, 2017, 19, 10358-10370
DOI: 10.1039/C6CP08884H
Ultrafast vibrational spectroscopy of aqueous solution of methylamine from first principles MD simulations
ChemistrySelect, 2017, 2, 74
DOI: 10.1039/slct.201601391