Abstract：
:Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Gao W,Xia W,Gao X,Zhang Pdoi
10.1038/srep36849subject
Has Abstractpub_date
2016-11-11 00:00:00pages
36849issn
2045-2322pii
srep36849journal_volume
6pub_type
杂志文章abstract：:Streptomyces coelicolor is a Gram-positive microorganism often used as a model of physiological and morphological differentiation in streptomycetes, prolific producers of secondary metabolites with important biological activities. In the present study, we analysed Streptomyces coelicolor growth and differentiation in ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-32027-8
更新日期：2018-09-12 00:00:00
abstract：:In a haptic search task, one has to detect the presence of a target among distractors using the sense of touch. A salient target can be detected faster than a non-salient target. However, little is known about the exploration strategies that are used, especially in 3D search tasks where items are held in the hand. In ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep06254
更新日期：2014-09-03 00:00:00
abstract：:Respiratory syncytial virus (RSV) is a major cause of diseases of the respiratory tract in young children and babies, being mainly associated with bronchiolitis. RSV infection occurs primarily in pulmonary epithelial cells and, once infection is established, an immune response is triggered and neutrophils are recruite...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-32576-y
更新日期：2018-09-21 00:00:00
abstract：:Given a reaction-diffusion system interacting via a complex network, we propose two different techniques to modify the network topology while preserving its dynamical behaviour. In the region of parameters where the homogeneous solution gets spontaneously destabilized, perturbations grow along the unstable directions ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-34372-0
更新日期：2018-11-01 00:00:00
abstract：:Very little is known about how fimbriae of Bacteroidetes bacteria are assembled. To shed more light on this process, we solved the crystal structures of the shaft protein Mfa1, the regulatory protein Mfa2, and the tip protein Mfa3 from the periodontal pathogen Porphyromonas gingivalis. Together these build up part of ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-20067-z
更新日期：2018-01-29 00:00:00
abstract：:The purpose of this study was to compare the performance of arrival-time-insensitive (ATI) and arrival-time-sensitive (ATS) computed tomography perfusion (CTP) algorithms in Philips IntelliSpace Portal (v9, ISP) and to investigate optimal thresholds for ATI regarding the prediction of final infarct volume (FIV). Retro...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-66041-6
更新日期：2020-06-09 00:00:00
abstract：:Elevated atmospheric CO2 concentrations are contributing to ocean acidification (reduced seawater pH and carbonate concentrations), with potentially major ramifications for marine ecosystems and their functioning. Using a novel in situ experiment we examined impacts of reduced seawater pH on Antarctic sea ice-associat...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-42329-0
更新日期：2019-04-15 00:00:00
abstract：:To date there are thirteen species validly assigned to the genus Anaerococcus. Most of the species in this genus are anaerobic and of human origin. Anaerococcus urinimassiliensis sp. nov., strain Marseille-P2143T is member of family Peptoniphilaceae, which was isolated from the urine of a 17-year-old boy affected by a...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-021-82420-z
更新日期：2021-01-29 00:00:00
abstract：:Staphylococcus epidermidis is the predominant cause of recalcitrant biofilm-associated infections, which are often highly resistant to antibiotics. Thus, the use of physico-chemical agents for disinfection offers a more effective approach to the control of S. epidermidis biofilm infections. However, the underlying tol...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-41797-8
更新日期：2019-03-29 00:00:00
abstract：:Patients with chronic obstructive pulmonary disease (COPD) repeat acute exacerbations (AE). Global Initiative for Chronic Obstructive Lung Disease (GOLD) is only available for patients in stable phase. Currently, there is a lack of assessment and prediction methods for acute exacerbation of chronic obstructive pulmona...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-60042-1
更新日期：2020-02-20 00:00:00
abstract：:Modelling the biokinetics of radionuclide excretion or retention is important in nuclear medicine and following accidental/malicious radioactivity releases. Sums of discrete exponential decay rates are often used, but we hypothesized that continuous probability distributions (CPD) of decay rates can describe the data ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-38046-9
更新日期：2019-02-04 00:00:00
abstract：:Wavelength, polarization and orbital angular momentum of light are important degrees of freedom for processing and encoding information in optical communication. Over the years, the generation and conversion of orbital angular momentum in nonlinear optical media has found many novel applications in the context of opti...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-45424-4
更新日期：2019-06-19 00:00:00
abstract：:Fitting Ordinary Differential Equation (ODE) models of signal transduction networks (STNs) to experimental data is a challenging problem. Computational parameter fitting algorithms simulate a model many times with different sets of parameter values until the simulated STN behaviour match closely with experimental data...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-30118-0
更新日期：2018-08-03 00:00:00
abstract：:A crystal of emerging magnetic charges is expected in the phase diagram of the dipolar kagomé spin ice. An observation of charge crystallites in thermally demagnetized artificial spin ice arrays has been recently reported by S. Zhang and coworkers and explained through the thermodynamics of the system as it approaches...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep05702
更新日期：2014-07-16 00:00:00
abstract：:Chronic fatigue syndrome (CFS) is a persistent and unexplained pathological state characterized by exertional and severely debilitating fatigue, with/without infectious or neuropsychiatric symptoms, lasting at least 6 consecutive months. Its pathogenesis remains incompletely understood. Here, we performed comprehensiv...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep34990
更新日期：2016-10-11 00:00:00
abstract：:Influenza A and B viruses cause seasonal flu epidemics. The M2 protein of influenza B (BM2) is a membrane-embedded tetrameric proton channel that is essential for the viral lifecycle. BM2 is a functional analog of AM2 but shares only 24% sequence identity for the transmembrane (TM) domain. The structure and function o...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-40217-1
更新日期：2019-03-06 00:00:00
abstract：:The ability of coral reefs to engineer complex three-dimensional habitats is central to their success and the rich biodiversity they support. In tropical reefs, encrusting coralline algae bind together substrates and dead coral framework to make continuous reef structures, but beyond the photic zone, the cold-water co...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep06782
更新日期：2014-10-27 00:00:00
abstract：:Inverse Compton scattering between ultra-relativistic electrons and an intense laser field has been proposed as a major route to generate compact high-brightness and high-energy γ-rays. Attributed to the inherent synchronization mechanism, an all-optical Compton scattering γ-ray source, using one laser to both acceler...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep29518
更新日期：2016-07-13 00:00:00
abstract：:Dopamine (DA) plays significant roles in regulation of social behavior. In social groups of humans and other animals, social hierarchy exists, which is determined by several behavioral characteristics such as aggression and impulsivity as well as social affiliations. In this study, we investigated the effects of pharm...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep43348
更新日期：2017-02-24 00:00:00
abstract：:Transformation optics (TO) concept well known for its huge possibility in patterning the path of electromagnetic waves is exploited to design a beam steering lens. The broadband directive in-phase emission in a desired off-normal direction from an array of equally fed radiators is numerically and experimentally report...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep18819
更新日期：2016-01-05 00:00:00
abstract：:Are you walking at me? Biological movement and the encoding of its motion and orientation. A person's motion conveys a wealth of information that ranges from the complex, such as intention or emotional state, to the simple, such as direction of locomotion. How we recognise and recover people's motion is addressed by m...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep22393
更新日期：2016-02-29 00:00:00
abstract：:Craniosynostosis must often be corrected using surgery, by which the affected bone tissue is remodeled. Nowadays, surgical reconstruction relies mostly on the subjective judgement of the surgeon to best restore normal skull shape, since remodeled bone is manually placed and fixed. Slight variations can compromise the ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-54148-4
更新日期：2019-11-27 00:00:00
abstract：:Leukocyte-platelet rich fibrin (L-PRF) is extensively used in the dentistry field and other clinical scenarios due to its regeneration properties. The goal of the present study was to depict the L-PRF secretome and how it changes over time. We obtained L-PRF membranes and cultured them in DMEM. The secretome was colle...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-71419-7
更新日期：2020-09-03 00:00:00
abstract：:Liver cancer stem cells (LCSCs) have attracted attention because they cause therapeutic resistance in hepatocellular carcinoma (HCC). Understanding the metabolism of LCSCs can be a key to developing therapeutic strategy, but metabolic characteristics have not yet been studied. Here, we systematically analyzed and comp...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep45557
更新日期：2017-04-03 00:00:00
abstract：:Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep02978
更新日期：2013-10-17 00:00:00
abstract：:Small-molecule inhibitors of non-canonical IκB kinases TANK-binding kinase 1 (TBK1) and IκB kinase ε (IKKε) have shown to stimulate β-cell regeneration in multiple species. Here we demonstrate that TBK1 is predominantly expressed in β-cells in mammalian islets. Proteomic and transcriptome analyses revealed that geneti...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-76600-6
更新日期：2020-11-09 00:00:00
abstract：:Chemotherapy is widely used in cancer treatments. However, non-specific distribution of chemotherapeutic agents to healthy tissues and normal cells in the human body always leads to adverse side effects and disappointing therapeutic outcomes. Therefore, the main aim of this study was to develop a targeted drug deliver...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-73967-4
更新日期：2020-10-08 00:00:00
abstract：:Hysteresis, which is the history dependence of physical systems, is one of the most important topics in physics. Interestingly, bi-stability of plasma with a huge hysteresis loop has been observed in inductive plasma discharges. Despite long plasma research, how this plasma hysteresis occurs remains an unresolved ques...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep15254
更新日期：2015-10-20 00:00:00
abstract：:This study assessed the efficacy and tolerability of intravenous ibuprofen in the improvement of post-operative pain control and the reduction of opioid usage. Patients were randomly divided into placebo, ibuprofen 400 mg and ibuprofen 800 mg groups. All patients received patient-controlled intravenous morphine analge...
journal_title：Scientific reports
pub_type： 杂志文章,随机对照试验
doi：10.1038/s41598-018-28428-4
更新日期：2018-07-05 00:00:00
abstract：:Cells harboring latent HIV-1 pose a major obstacle to eradication of the virus. The 'shock and kill' strategy has been broadly explored to purge the latent reservoir; however, none of the current latency-reversing agents (LRAs) can safely and effectively activate the latent virus in patients. In this study, we report ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-07157-0
更新日期：2017-08-25 00:00:00
