Quantum systems displaying many accessible levels could be very powerful units of forthcoming quantum computing architectures. Indeed, the large number available states significantly simplify actual implementation several algorithms. Here we show that artificial molecular spins are particularly suitable to realize such a platform. In particular, multispin molecules with competing interactions p...

The purpose of this research work was to study the effect polyethylene glycol (PEG) and polypropylene (PPG) as polyether polyols on properties mortar specimens. Electrochemical measurement used investigate change in charge transfer resistance during hydration cement. mechanical specimens were studied by flexural compressive strength tests. results show that PPG helps improve compared with PEG, ...

For inhomogeneous systems with interfaces, the inclusion of long-range dispersion interactions is necessary to achieve consistency between molecular simulation calculations and experimental results. For accurate and efficient incorporation of these contributions, we have implemented a particle-particle particle-mesh Ewald solver for dispersion (r(-6)) interactions into the LAMMPS molecular dyna...

enaminones are those structures made up three various functional groups including carbonyl, alkeneand amine groups which arelocated along with each other in a conjugate fashion. these compoundsare of much attention due to special characteristics and numerous applications. in the paper, sixvarious enaminone structures were theoretically optimized and after concluding, were compared withequivalen...

Computational molecular dynamics is an important application requiring large amounts of computing time. Parallel processing ooers the possibility of much better performance on scientiic computation, but irregular problems like molecular dynamics have proven dif-cult to map onto parallel machines. In this paper, we describe the practicalities of porting a basic molecular dynamics computation to ...

Following the results of cite{Med}, regarding the Aluthge transform of polynomial matrices, the symbolic computation of the Duggal transform of a polynomial matrix $A$ is developed in this paper, using the polar decomposition and the singular value decomposition of $A$. Thereat, the polynomial singular value decomposition method is utilized, which is an iterative algorithm with numerical charac...

Abstract Biology makes things far smaller and more complex than anything produced by human engineering. The biotechnology revolution has for the first time given us the tools necessary to consider engineering on the molecular level. Research in DNA computation, launched by Len Adleman, has opened the door for experimental study of programmable biochemical reactions. Here we focus on a single ...