A
Abu Md. Asaduzzaman
Researcher at Pennsylvania State University
Publications - 53
Citations - 895
Abu Md. Asaduzzaman is an academic researcher from Pennsylvania State University. The author has contributed to research in topics: Adsorption & Cluster (physics). The author has an hindex of 19, co-authored 48 publications receiving 768 citations. Previous affiliations of Abu Md. Asaduzzaman include Penn State Harrisburg & University of Arizona.
Papers
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Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: a density functional theory study.
Slimane Laref,Jiangrong Cao,Abu Md. Asaduzzaman,Keith Runge,Pierre A. Deymier,Richard W. Ziolkowski,Mamoru Miyawaki,Krishna Muralidharan +7 more
TL;DR: It is found that the in-plane plasma frequency of the gold thin film decreases with decreasing thickness and that the optical permittivity tensor is highly anisotropic as well as thickness dependent.
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A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders
Mohammad Rafat Sadat,Stefan Bringuier,Abu Md. Asaduzzaman,Krishna Muralidharan,Lianyang Zhang +4 more
TL;DR: For the first time, the efficacy of atomistic simulations for understanding the effect of water in geopolymer binders is proved and can thus serve as a useful design tool for optimizing composition of geopolymers with improved mechanical properties.
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An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders
Mohammad Rafat Sadat,Stefan Bringuier,Krishna Muralidharan,Keith Runge,Abu Md. Asaduzzaman,Lianyang Zhang +5 more
TL;DR: In this paper, the structural properties of the amorphous geopolymer binder phase were examined as a function of the underlying silicon to aluminum ratio using molecular dynamics (MD) simulations.
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Degradation mechanism of methyl mercury selenoamino acid complexes: a computational study.
TL;DR: Density functional theory calculations have been carried out on the possible degradation/demethylation mechanism of methyl mercury complexes with free cysteine and seleonocysteine, and the preferred degradation of the CH(3)Hg-L-cysteinate suggests that another mechanism for Hg to cross the blood-brain barrier should exist.
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Adsorption of uranyl species onto the rutile (110) surface: a periodic DFT study.
TL;DR: In this paper, periodic density funtional theory (DFT) calculations on the sorption of uranyl species onto the TiO(2) rutile (110) surface were performed, and two kinds of surfaces, an ideal dry surface and a partially hydrated surface, were considered.