Dr. Snehasis Chowdhuri

Associate Professor

School of Basic Sciences

Office : SBS-227

Phone : 674-713-5152

Email : snehasis@iitbbs.ac.in

Education

Degree	Discipline	Year	School
Ph.D.	Chemistry	2005	Indian Institute of Technology Kanpur

Research Interests

Theoretical Chemistry, Molecular modeling, Molecular Dynamics simulations

Brief Resume

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Teaching

Chemistry (1st year B. Tech), Preparatory Chemistry, Mathematics for Chemists, Introduction to Quantum Chemistry, Group theory and Spectroscopy, Statistical Mechanics for Chemists

Recent Publication (International Journals)	Author(s)/Speaker(s)
"Effects of co-solutes on the hydrogen bonding structure and dynamics in aqueous N-methyl acetamide solution: A molecular dynamics simulations study", Mol. Phys. DOI:10.1080/00268976.2014. 916822 (in press)	S. K. Pattanayak, P.Chettiyankany and S. Chowdhuri
"Effects of methanol on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution", J. Mol. Liq. 194, 141 (2014).	S. K. Pattanayak and S. Chowdhuri
"Dynamics of N-methyl acetamide in water-ethanol mixtures of varying composition", ISRAPS Bulletin, 25, 96 (2013).	S. K. Pattanayak and S. Chowdhuri
"Behavior of peptide bond environments in presence of NaCl and KCl:Structure, dynamics and H-bond properties of concentrated salt solutions of liquid N-methylacetamide", Mol. Phys. DOI:10.1080/00268976.2013.783240 (in press).	S. K. Pattanayak and S. Chowdhuri
"Pressure and temperature dependence on the hydrogen bonding and dynamics of ammonium ion in liquid water: A molecular dynamics simulations study", J. Mol. Liq. 186, 98 (2013).	S. K. Pattanayak and S. Chowdhuri
"Pressure effects on the dynamics of ions and solvent molecules in liquid methanol under ambient and cold conditions: Importance of solvent’s H-bonding network", J. Mol. Liq. 180, 172 (2013).	S. Chowdhuri and S. K. Pattanayak
"Pressure dependence on the single-particle dynamics and hydrogen bond structural relaxation of water-DMSO mixtures under ambient and cold conditions", Mol. Phys. 111, 135 (2013).	S. Chowdhuri and S. K. Pattanayak
"A molecular dynamics simulations study on the behavior of liquid N-methylacetamide in presence of NaCl: Structure, dynamics and H- bond properties", J. Mol. Liq. 172, 102 (2012).	S. K. Pattanayak and S. Chowdhuri
"Size dependence of solvation structure and dynamics of ions in liquid N-methyl acetamide", J. Theor. Comput. Chem. 11(2), 361 (2012).	S. K. Pattanayak and S. Chowdhuri
"Effect of water on solvation structure and dynamics of ions in peptide bond environment: Importance of hydrogen bonding and dynamics of the solvents", J. Phys. Chem. B, 115, 13241 (2011).	S. K. Pattanayak and S. Chowdhuri
"Effect of temperature and pressure on the structure, dynamics and hydrogen bond properties of liquid N-methyl acetamide: A molecular dynamics study", J. Chem. Phys. 134, 154506 (2011).	S. K. Pattanayak, N. Prashar and S. Chowdhuri

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