The adhesion of TiO(2) (anatase structure) nanoparticles to kaolinite substrate was investigated using molecular modeling. Universal force field computation, density function theory computation, and a combination of both two approaches were used. This study enabled the adhesion energy for the TiO(2)/kaolinite nanocomposite to be estimated, and revealed the preferred orientation of the TiO(2) na...

Self-assembling DNA nanostructures are an efficient means of executing parallel molecular computations. However, previous experimental demonstrations of computations by DNA tile self-assembly only allowed for one set of distinct input to be processed at a time. Here, we report the multibit, parallel computation of pairwise exclusive-or (XOR) using DNA "string tile" self-assembly. A set of DNA t...

beneficial management practices (bmps) are important measures for reducing agricultural non-point source (nps) pollution. however, selection of bmps for placement in a watershed requires optimizing available resources to maximize possible water quality benefits. due to its iterative nature, the optimization typically takes a long time to achieve the bmp trade-off results which is not desirable ...

Abstract Condensed matters with high ionic conductivities are crucial in various solid devices such as solid-state batteries. The conduction is characterized by the cooperative motion associated carrier density. However, cost of computing correlated has forced almost all ab initio molecular dynamics (MD) to rely on Nernst–Einstein dilute-solution approximation, which ignores cross-correlation e...

Abstract Non-deterministic polynomial (NP-) complete problems, whose number of possible solutions grows exponentially with the variables, require by necessity massively parallel computation. Because sequential computers, such as solid state-based ones, can solve only small instances these problems within a reasonable time frame, computation using motile biological agents in nano- and micro-scal...

in this paper, the exp-function method, with the aid of a symbolic computation system such as maple, is applied to the (2+1) -dimensional calogero bogoyavlanskii schiff equation. exact and explicit generalized solitary solutions are obtained in more general forms. the free parameters can be determined by initial or boundary conditions. the method is straightforward and concise, and its applicat...