Duc C. Nguyen

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We present a suite of fast and effective algorithms, encapsulated in a software package called ColPack, for a variety of graph coloring and related problems. Many of the coloring problems model partitioning needs arising in compression-based computation of Jacobian and Hessian matrices using Algorithmic Differentiation. Several of the coloring problems also(More)
Many scientific applications benefit from the accurate and efficient computation of derivatives. Automatically generating these derivative computations from an applications source code offers a competitive alternative to other approaches, such as less accurate numerical approximations or labor-intensive analytical implementations. ADIC2 is a source(More)
The paper presents the results of ab initio study of the opportunities for tuning the band structure, magnetic and transport properties of zigzag graphene nanoribbon (8-ZGNR) on hexagonal boron nitride (h-BN(0001)) semiconductor heterostructure by transverse electric field (E(ext)). This study was performed within the framework of the density functional(More)
We discuss the design, implementation and performance of algorithms suitable for the efficient computation of sparse Jacobian and Hessian matrices using Automatic Differentiation via operator overloading on multicore architectures. The procedure for exploiting sparsity (for runtime and memory efficiency) in serial computation involves a number of steps.(More)
Silver and copper nanoparticles are well-known as the good antimicrobial agent. The nano-size of particles influences in enhancing the antimicrobial activity. This paper discusses the effect of molarity on the microstructure and morphology of silver-copper core-shell nanoparticles prepared by a polyol method. In this study, silver-copper nanoparticles are(More)
In this work, the optical responses of graphene superlattices, i.e. graphene subjected to a periodic scalar potential, are theoretically reported. The optical properties were studied by investigating the optical conductivity, which was calculated using the Kubo formalism. It was found that the optical conductivity becomes dependent on the photon(More)
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