Obtaining a precise theoretical description of the spectral properties liquid water poses challenges for both molecular dynamics (MD) and electronic structure methods. The lower computational cost Koopmans-compliant functionals with respect to Green's function methods allows simulations many MD trajectories, close state-of-art quasi-particle self-consistent GW plus vertex corrections method (QS...

The Moore bound for a diregular digraph of degree d and diameter k is Md k d d It is known that digraphs of order Md k do not exist for d and k or In this paper we study digraphs of degree d diameter k and order Md k denoted by d k digraphs Miller and Fris showed that k digraphs do not exist for k Subsequently we gave a necessary condition of the existence of k digraphs namely k digraphs do not...

Background Using dexmedetomidine (Dex) as a sedative agent may benefit the clinical outcomes of post-surgery patients. We reviewed randomized controlled trials (RCTs) to assess whether use of a Dex could improve the outcomes in post-surgery critically ill adults. Methods We searched Medline, Embase, PubMed, and the Cochrane databases for RCTs comparing Dex with propofol or a placebo in post-o...

Based on empirical financial time-series, we show that the ”silence-breaking” probability follows a super-universal power law: the probability of observing a large movement is inversely proportional to the length of the ongoing low-variability period. Such a scaling law has been previously predicted theoretically [1], assuming that the length-distribution of the low-variability periods follows ...

As a part of pragmatics of language, Metadiscourse (MD) has been widely recognized as playing a pivotal role in the expression and comprehension of messages in academic writing. In view of its significance in effective communication, there have been a lot of attempts to categorize different MD devices within manageable models alongside some descriptive works to demonstrate the use of MD devices...

The use of coarse-grained (CG) models can significantly increase the time and length scales accessible to computational molecular dynamics (MD) simulations. To address very large-scale phenomena, however, requires a careful consideration of memory requirements and parallel MD load balancing in order to make efficient use of current supercomputers. In this work, a CG-MD code is introduced which ...

Background: Meniere’s disease (MD) is a chronic illness defined as an idiopathic syndrome of endolymphatic hydrops. Benign paroxysmal positional vertigo (BPPV) is a balance disorder and can be the sequel of diverse inner ear impairments. Objectives: The purpose of this study was to investigate the prevalence of BPPV in MD patients. Materials and Methods: All patients with definite or prob...

We investigate a Hamiltonian lattice version of the two-dimensional Wess-Zumino model by Quantum Monte Carlo simulations. In order to study the pattern of supersymmetry breaking, we measure the ground state energy and the correlation length along a trajectory approaching the continuum limit. The algorithm is very effective in measuring the ground state energy, and adequate for the correlation l...

Molecular dynamics (MD) simulation has been carried out to study dynamical stability of intra-protein hydrogen bonds based on two set of atomic charges, the standard AMBER charge and the polarized protein-specific charge (PPC). The latter is derived from quantum mechanical calculation for protein in solution using a recently developed molecular fractionation with conjugate caps-Poisson-Boltzman...

Single genetic variants discovered so far have been only weakly associated with melanoma. This study aims to use multiple single nucleotide polymorphisms (SNPs) jointly to obtain a larger genetic effect and to improve the predictive value of a conventional phenotypic model. We analyzed 11 SNPs that were associated with melanoma risk in previous studies and were genotyped in MD Anderson Cancer C...