S
Shyamal K. Nath
Researcher at University of Wisconsin-Madison
Publications - 25
Citations - 1134
Shyamal K. Nath is an academic researcher from University of Wisconsin-Madison. The author has contributed to research in topics: Density functional theory & Molecular dynamics. The author has an hindex of 15, co-authored 25 publications receiving 1073 citations. Previous affiliations of Shyamal K. Nath include New Mexico Institute of Mining and Technology.
Papers
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On the simulation of vapor-liquid equilibria for alkanes
TL;DR: In this paper, a modified force field is proposed that provides good agreement with experimental phase equilibrium and second virial coefficient data over wide ranges of temperature and chain length over short and long alkanes.
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Symmetric diblock copolymer thin films confined between homogeneous and patterned surfaces: Simulations and theory
TL;DR: In this article, a phenomenological theory was used to describe the behavior of symmetric diblock copolymer thin films confined between two hard surfaces, and the theory was applied to construct phase diagrams for thin films between patterned-homogeneous surfaces.
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A new united atom force field for α-olefins
TL;DR: In this article, a new united-atom force field is proposed for α-olefins, which is used to study vapor-liquid equilibria for pure components and binary mixtures.
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New forcefield parameters for branched hydrocarbons
Shyamal K. Nath,Rajesh Khare +1 more
TL;DR: In this article, Nath et al. proposed a new set of united-atom force field parameters for simulating the phase equilibria of branched alkanes up to C8.
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Simulation of vapour-liquid equilibria for branched alkanes
Shyamal K. Nath,Juan J. de Pablo +1 more
TL;DR: In this paper, a new united-atom force field is proposed for branched and linear alkanes, which is used to study vapour-liquid equilibria for pure components and binary mixtures.