Shyamal K. Nath

Affiliations: 
1996 Materials Engineering New Mexico Inistitue of Mining & Technology 
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Handgraaf JW, Serral Gracia R, Nath SK, et al. (2011) A multiscale modeling protocol to generate realistic polymer surfaces Macromolecules. 44: 1053-1061
Fraaije JGEM, Nath SK, Remerie K, et al. (2011) Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers Macromolecular Theory and Simulations. 20: 133-145
Habenschuss A, Tsige M, Curro JG, et al. (2007) Structure of poly(dialkylsiloxane) melts: Comparisons of wide-angle X-ray scattering, molecular dynamics simulations, and integral equation theory Macromolecules. 40: 7036-7043
Nath SK, Curro JG, McCoy JD. (2005) Density functional theory of realistic models of polyethylene liquids in slit pores: comparison with monte carlo simulations. The Journal of Physical Chemistry. B. 109: 6620-8
Nath SK, Frischknecht AL, Curro JG, et al. (2005) Density functional theory and molecular dynamics simulation of poly(dimethylsiloxane) melts near silica surfaces Macromolecules. 38: 8562-8573
Khare R, Sum AK, Nath SK, et al. (2004) Simulation of Vapor−Liquid Phase Equilibria of Primary Alcohols and Alcohol−Alkane Mixtures The Journal of Physical Chemistry B. 108: 10071-10076
Nath SK. (2003) Molecular Simulation of Vapor−Liquid Phase Equilibria of Hydrogen Sulfide and Its Mixtures with Alkanes The Journal of Physical Chemistry B. 107: 9498-9504
Wescott JT, Kung P, Nath SK. (2003) Vapour-liquid coexistence properties and critical points of two branched alkanes series Fluid Phase Equilibria. 208: 123-139
Nath SK, Banaszak BJ, De Pablo JJ. (2001) Simulation of ternary mixtures of ethylene, 1-hexene, and polyethylene Macromolecules. 34: 7841-7848
NATH SK, DE PABLO JJ. (2000) Simulation of vapour-liquid equilibria for branched alkanes Molecular Physics. 98: 231-238
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