Plane wave pseudopotential (PWP) density functional theory (DFT) calculation is the most widely used material science simulation, and the PWP DFT codes are arguably the most important material science codes. We have implemented a PWP DFT code PEtot on a multi-node GPU machine. Starting from a previous work, we have further improved the speed of the code, and achieved x13-x22 speedups over the C...

BACKGROUND Parkinson's disease (PD) is a neurodegenerative disorder with fluctuating symptoms. To aid the development of a system to evaluate people with PD (PwP) at home (SENSE-PARK system) there was a need to define parameters and tools to be applied in the assessment of 6 domains: gait, bradykinesia/hypokinesia, tremor, sleep, balance and cognition. OBJECTIVE To identify relevant parameter...

We investigate properties and examples of iterated planar piecewise parabolic (PWP) maps, including those induced by two-torus parabolic maps and their inverses. PWP maps are areapreserving maps that have constant linearizations but only one eigenvector with eigenvalue one. We obtain necessary and sufficient conditions for a two-torus parabolic map to be invertible. For noninvertible PWP maps, ...

BACKGROUND Injuries are often recurrent, with subsequent injuries influenced by previous occurrences and hence correlation between events needs to be taken into account when analysing such data. OBJECTIVE This paper compares five different survival models (Cox proportional hazards (CoxPH) model and the following generalisations to recurrent event data: Andersen-Gill (A-G), frailty, Wei-Lin-We...

Some distributed applications function well only when guarantees are made on the maximum latency which the applications’ packets will experience. Common packet-switched networks, such as the current public Internet, do not provide straightforward mechanisms for deriving such guarantees. Two approaches to the problem of bounding packet-switched network latency are presented: PWP-Sporadic, and PW...

The quality of life (QoL) of informal caregivers can be adversely affected by a number of factors. This issue, however, has not been well explored for carers of people with Parkinson's (PwP), with research largely restricted to the assessment of caregiver burden and caregiver strain. This study aims to determine the main influences on carer QoL in this population and consider results in the con...

BACKGROUND Differentiation of pulmonary arterial hypertension (PAH) and pulmonary venous hypertension (PVH) often requires right heart catheterization (RHC). We sought to determine whether a combination of clinical and echocardiographic variables could predict the pulmonary diastolic to wedge (PAd-PWP) gradient and thus differentiate patients with PAH and PVH. METHODS We prospectively enrolle...

In this article we give a characterization of monoids for which torsion freeness, ((principal) weak, strong) flatness, equalizer flatness or Condition (E) of finitely generated and (mono) cyclic acts and Condition (P) of finitely generated and cyclic acts implies regularity. A characterization of monoids for which all (finitely generated, (mono) cyclic acts are regular will be given too. We als...