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In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountere...
Central moment lattice Boltzmann method (LBM) is one of the more recent developments among the lattice kinetic schemes for computational fluid dynamics. A key element in this approach is the use of ce...
Abstract: The optical-absorption edge of single crystals of CaWO4, SrWO4, BaWO4, and PbWO4 has been measured under high pressure up to ~20 GPa at room temperature. From the measurements we have obtain...
Abstract: The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with t...
We present a method for self-consistently including the optical cavity field into Monte Carlo-based carrier transport simulations. This approach allows for an analysis of the actual lasing operation i...
We consider the Kane-Mele model with spin-orbit coupling  supplemented by a Hubbard U term. On the basis of projective auxiliary eld quantum Monte Carlo simulations on lattice sizes up to 12  12, ...
In this paper we present a theoretical study on single-wall silicon and III-V compound nanotubes. First principles plane wave calculations within density functional theory are used to predict energe...

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