Molecular dynamics (MD) models require comprehensive computational power to simulate nanoscale phenomena. Traditionally, central processing unit (CPU) clusters have been the standard method of performing these numerically intensive computations. This article investigates the use of graphical...

In order to manufacture parts with dimensions of nanometres, high–technology equipment is required. There is a demand to study nano-metric cutting mechanisms and phenomena appearing in this level. However, experiments are difficult to be realized, so computational methods are employed....

In this article, density functional theory (DFT) based on ab initio molecular dynamics (AIMD) is used to study the combustion reaction of a specific rocket fuel, hydrazine (N2H4), accomplished by using dinitrogen tetroxide (N2O4) as the oxidant. The atomic model consists of 1:1 ratio of N2H4 and...

This paper formulates a relaxed risk parity optimization model to control the balance of risk parity violation against the total portfolio performance. Risk parity has been criticized as being overly conservative and it is improved by re-introducing the asset expected returns into the model and...