| Professional Experience |
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- Assistant professor at the Department of Chemical Engineering, NIT-Rourkela from July, 2015 to Dec,2015.
- Visiting faculty at the Department of Chemical Engineering, MNNIT-Allahabad, Allahabad from Jan 23, 2015 to May 31, 2015.
- Project Scientist at the Department of Chemical Engineering, IIT Kanpur, Kanpur from 1st September 2014 to 21st January, 2015.
- Post Doctoral Researcher at the Department of Chemical and Bio-Molecular Engineering, University of Notre Dame, Notre Dame, Indiana, USA, from October 2012 to July 2014.
- Sr. Project Engineer from March 2012 to May 2012 at the Department of Chemical Engineering, IIT Kanpur, Kanpur, UP, India.
- Sr. Project Engineer from Aug 16, 2012 to Sept 15, 2012 at the Department of Chemical Engineering, IIT Kanpur, Kanpur, UP, India.
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| Publications |
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Book Chapter:
- Khan S and Singh JK, Molecular simulation of wetting transitions on novel materials in molecular modeling for the design of novel chemicals and materials, Edited by B. Rai, CRC Press (2012) Print ISBN: 978-1-4398-4078-8, eBook ISBN: 978-1-4398-4079-5
- Tarak K. Patra, Sandip Khan, Rajat Srivastava and Jayant K. Singh, Understanding Wetting Transition using Molecular Simulation in Nanoscale and Microscale Phenomena: Fundamentals and Application, Springer (2015).
Selected Publications:
- Khan S and Singh JK, Prewetting transitions of one site associating fluids J. Chem. Phys. 132, 144501(2010).
- Dutta RC, Khan S and Singh JK, Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study, Fluid Phase Equil. 302,310 (2011).
- Singh SK, Khan S, Jana S and Singh JK, vapour-liquid phase equilibria of square-well fluids in patterned slit pores, Mol. Sim. 37, 350 (2011).
- Khan S and Singh JK, Surface phase transition of associating fluids on functionalized surface, J. Phys. Chem. C 115, 17861 (2011).
- Khan S, Bhandary D, Singh JK, Phase transition of multiple sites associating fluids, Molecular Physics, 110, 1241 (2012).
- De S, Boda A, Ali SM,Tulishetti S, Khan S and Singh JK, Microhydration to bulk hydration of Sr2+ metal ion: DFT and molecular dynamics study, Journal of Molecular Liquids, 172, 110, (2012).
- Bhandary D, Khan S and Singh JK, Strucure and Dynamics of n-Alkanol Monolayers on the Mica Surface, Journal of Physical Chemistry C 118, 13, 6809 (2014).
- Khan S and Singh JK, Wetting transition of nanodroplets water on textured surfaces: A Molecular Dynamic Study, Molecular Simulation, 40, 6, 458 (2014).
- Metya A K, Khan S, Singh JK, Wetting transition of water-alcohal droplet on textured surfaces, Journal of Physical Chemistry C 118, 8, 4113 (2014).
International Conferences:
- Bhandary D, Khan S, Singh JK, Diffusion of n-Alkanol with in Self-Assembled Monolayer on Mica surface: A Molecular Dynamic Study, AIChE Annual Meeting, San Francisco, USA, Nov 3-8, 2013 (Poster presentation).
- Metya A, Khan S, Singh JK, Wetting transition of ethanol-water droplet on smooth and pillared surfaces: A Molecular Dynamic Study, AIChE Annual Meeting, San Francisco, USA, Nov 3-8, 2013 (Oral presentation).
- Khan S, Singh JK, Estimation of free energy of water droplet during transition from Cassie State to Wenzel state : A molecular dynamic study, AIChE Annual Meeting, Minneapolis, Minneasota, USA, Oct 16-21, 2011 (Oral presentation).
- Mitra S, Ali SK. M, Khan S, Singh JK, Solvation of Sr2+ metal ion in different solvents: DFT and MD study, DAE Solid State Physics Symposium 2010, Manipal University, Karnatak, Dec 26 -30, 2010 (Poster presentation).
- Mitra S, Ali SK. M, Khan S, Singh JK, Solvation of Sr2+ metal ion in different solvents: DFT and MD study, Theoretical Chemistry Symposium 2010, IIT Kanpur, Dec 8-12, 2010 (Poster presentation).
- Khan S, Singh JK, Phase transitions of associating molecules near active surfaces, Reach Symposium, IIT Kanpur, Oct 10-12, 2010 (Poster presentation).
- Khan S, Singh JK, Self assembled monolayer of n-alkanols on mica surface, Chemference 2010, IIT Kanpur, July 13-14, 2010 (Oral presentation).
- Khan S, Singh JK, Self assembled monolayer of n-alkanols on mica surface: A molecular dynamic study, Eight Liblice 2010, Brno, Czech Republic, June 13-18, 2010 (Poster presentation).
- Dutta RC, Khan S, Singh JK, Wetting transition of water-alcohol mixture on a texture surface, PPEPPD 2010, Suzhou, China, May 16-21, 2010 (Poster Presentation).
- Khan S, Singh JK, Phase behavior of associating fluids in contact with a solid surface, AIChE Annual Meeting, Gaylord Opryland Resort & Convention Center, Nashville, Tennessee, USA, Nov 8-13,2009 (Oral Presentation)
- Khan S, Singh JK, Wetting transition and boundary tension of dimer forming associating fluids, APT-2009, Hotel Ashok, New Delhi, Sept 14-16, 2009 (Oral Presentation).
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