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：:The abnormal wing discs (awd) gene encodes the Drosophila homolog of NME1/NME2 metastasis suppressor genes. Awd acts in multiple tissues where its function is critical in establishing and maintaining epithelial integrity. Here, we analysed awd gene function in Drosophila epithelial cells using transgene-mediated RNA i...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-17217-0
更新日期：2017-12-04 00:00:00
abstract：:Voltage-gated sodium (NaV) channels have been related with cell migration and invasiveness in human cancers. We previously reported the contribution of NaV1.6 channels activity with the invasion capacity of cervical cancer (CeCa) positive to Human Papilloma Virus type 16 (HPV16), which accounts for 50% of all CeCa cas...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-31364-y
更新日期：2018-08-29 00:00:00
abstract：:Allosteric modulation of G protein-coupled receptors represent a promising mechanism of pharmacological intervention. Dramatic developments witnessed in the structural biology of membrane proteins continue to reveal that the binding sites of allosteric modulators are widely distributed, including along protein surface...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-42618-8
更新日期：2019-04-16 00:00:00
abstract：:Emergence of DS-1-like-G1P[8] rotavirus in Asia have been recently reported. We report for the first time the detection and the whole genome phylogenetic analysis of DS-1-like-G1P[8] strains in America. From 2013 to 2017, a total of 4226 fecal samples were screened for rotavirus by ELISA, PAGE, RT-PCR and sequencing. ...
journal_title：Scientific reports
pub_type： 历史文章,杂志文章
doi：10.1038/s41598-019-38703-7
更新日期：2019-02-18 00:00:00
abstract：:The challenge of balancing biodiversity protection with economic growth is epitomized by the development of renewable and unconventional energy, whose adoption is aimed at stemming the impacts of global climate change, yet has outpaced our understanding of biodiversity impacts. We evaluated the potential conflict betw...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-64501-7
更新日期：2020-05-05 00:00:00
abstract：:Circulating tumor DNA (ctDNA) has become an attractive biomarker in human oncology, and its use may be informative in canine cancer. Thus, we used droplet digital PCR or PCR for antigen receptor rearrangement, to explore tumor-specific point mutations, copy number alterations, and chromosomal rearrangements in the pla...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-80332-y
更新日期：2021-01-13 00:00:00
abstract：:The transfer of the flexor hallucis longus tendon or flexor digitorum longus tendon is frequently used for the treatment of posterior tibial tendon insufficiency or chronic Achilles tendinopathy. According to several anatomical studies, harvesting the flexor hallucis longus (FHL) tendon may cause nerve injury. Sixty-e...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-13742-0
更新日期：2017-10-27 00:00:00
abstract：:The Fabry-Pérot interferometer is used in a variety of high-precision optical interferometry applications, such as gravitational wave detection. It is also used in various types of laser resonators to act as a narrow band filter. In addition, ultra-compact Fabry-Pérot interferometers are used in the optical resonators...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-33665-8
更新日期：2018-10-12 00:00:00
abstract：:Coronary computed tomography angiography is an established technique in clinical practice and a valuable tool in the diagnosis of coronary artery disease in humans. Imaging of coronaries in preclinical research, i.e. in small animals, is very difficult due to the high demands on spatial and temporal resolution. Mice e...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-73735-4
更新日期：2020-10-08 00:00:00
abstract：:Approximately 75% of melanomas have known driver oncogenic mutations in BRAF, NRAS, GNA11 or GNAQ, while the mutations providing constitutive oncogenic signaling in the remaining melanomas are not known. We established a melanoma cell line from a tumor with none of the common driver mutations. This cell line demonstra...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep27454
更新日期：2016-06-08 00:00:00
abstract：:Circadian clocks keep time via ~ 24 h transcriptional feedback loops. In Drosophila, CLOCK-CYCLE (CLK-CYC) activators and PERIOD-TIMELESS (PER-TIM) repressors are feedback loop components whose transcriptional status varies over a circadian cycle. Although changes in the state of activators and repressors has been cha...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-75009-5
更新日期：2020-10-21 00:00:00
abstract：:Nitrogen-Vacancy (NV) centers in diamond are promising solid-state quantum emitters that can be utilized for photonic quantum applications. Various diamond nanophotonic devices have been fabricated for efficient extraction of single photons emitted from NV centers to a single guided mode. However, for constructing sca...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-13309-z
更新日期：2017-10-11 00:00:00
abstract：:Bone metastasis of breast cancer cells is a major concern, as it causes increased morbidity and mortality in patients. Bone tissue-derived CXCL12 preferentially recruits breast cancer cells expressing CXCR4 to bone metastatic sites. Thus, understanding how CXCR4 expression is regulated in breast cancer cells could sug...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep09170
更新日期：2015-03-16 00:00:00
abstract：:Th17 and regulatory T cells, involved in the pathogenesis of several autoimmune diseases, are new lineages of CD4+ T helper cells. However, the role of their imbalance in human leukocyte antigen B27-associated acute anterior uveitis has not been elucidated. In our study, the percentages of Th17 and Treg cells, their m...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep40414
更新日期：2017-01-16 00:00:00
abstract：:Across boundary currents, zooplankton are subject to strong oceanographic gradients and hence strong selective pressures. How such gradients interact with the speciation process of pelagic organisms is still poorly understood in the open ocean realm. Here we report on genetic diversity within the pelagic copepod Pleur...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-56935-5
更新日期：2020-01-24 00:00:00
abstract：:One strategy to address new potential dangers is to generate defensive responses to stimuli that remind learned threats, a phenomenon called fear generalization. During a threatening experience, the brain encodes implicit and explicit memory traces. Nevertheless, there is a lack of studies comparing implicit and expli...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-49751-4
更新日期：2019-09-16 00:00:00
abstract：:In this study, we sought to enhance the cutting properties of the various blades by coating them with Zr- and Fe-based thin film metallic glasses (TFMGs) to a thickness of 234-255 nm via sputter deposition. In oil-repellency/sliding tests on kitchen blades, the sliding angle and friction forces were as follows: bare b...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-52054-3
更新日期：2019-10-29 00:00:00
abstract：:Haemodynamic disorders are common clinical findings in hypertension and lead to adverse cardiovascular events. However, the haemodynamic conditions in hypertension models are poorly understood. This study aimed to observe the characteristics of haemodynamics in spontaneously hypertensive rats (SHRs) and antihypertensi...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-01906-x
更新日期：2017-05-17 00:00:00
abstract：:Cyanobacteria are a diverse group of photosynthetic bacteria that exhibit phototaxis, or motion in response to light. Cyanobacteria such as Synechocystis sp. secrete a mixture of complex polysaccharides that facilitate cell motion, while their type 4 pili allow them to physically attach to each other. Even though cell...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-18160-w
更新日期：2017-12-19 00:00:00
abstract：:Euphausia pacifica is a good candidate for a resource of marine n-3 PUFA. However, few reports exist of the lipid and fatty acid composition of E. pacifica. To examine the potential of E. pacifica as a resource of marine n-3 PUFA, we analyzed E. pacifica oil. We extracted lipids from E. pacifica harvested from the Pac...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-09637-9
更新日期：2017-08-30 00:00:00
abstract：:Cellular membrane distortion invokes variations in cellular physiology. However, lack of an appropriate system to control the stress and facilitate molecular analyses has hampered progress of relevant studies. In this study, a microfluidic system that finely manipulates membrane distortion of Chlamydomonas reinhardtii...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep04675
更新日期：2014-04-14 00:00:00
abstract：:Functional DNA sub-sequences and genome elements are spatially clustered through the genome just as keywords in literary texts. Therefore, some of the methods for ranking words in texts can also be used to compare different DNA sub-sequences. In analogy with the literary texts, here we claim that the distribution of d...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep41543
更新日期：2017-01-27 00:00:00
abstract：:Homocysteine (Hcy) has been shown to have a neurotoxic effect on ischemic brain cells; however, the underlying mechanisms remain incompletely understood. Here, we examined whether Hcy treatment influences mitochondria injury, oxidative stress, and mitochondrial STAT3 (mitoStat3) expression in rat ischemic brain. Our r...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-07112-z
更新日期：2017-07-31 00:00:00
abstract：:Transport of tissue-derived lymphatic fluid and clearance by draining lymph nodes are pivotal for maintenance of fluid homeostasis in the body and for immune-surveillance of the self- and non-self-proteomes. Yet a quantitative analysis of nodal filtration of the tissue-derived proteome present in lymphatic fluid has n...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-29614-0
更新日期：2018-07-26 00:00:00
abstract：:As an analytic pipeline for quantitative imaging feature extraction and analysis, radiomics has grown rapidly in the past decade. On the other hand, recent advances in deep learning and transfer learning have shown significant potential in the quantitative medical imaging field, raising the research question of whethe...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-021-80998-y
更新日期：2021-01-14 00:00:00
abstract：:Analysis of intact glycopeptides by mass spectrometry is essential to determining the microheterogeneity of protein glycosylation. Higher-energy collisional dissociation (HCD) fragmentation of glycopeptides generates mono- or disaccharide ions called oxonium ions that carry information about the structure of the fragm...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep37189
更新日期：2016-11-21 00:00:00
abstract：:The capacity of graphene oxide nanoparticles (nGOx) to reduce or increase As and metals availability in polluted soils was compared with that of zero valent iron nanoparticles (nZVI). The nanomaterials used in this study were characterized by X-ray techniques, CHNS-O analysis, dynamic light scattering, and microscopy ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-58852-4
更新日期：2020-02-05 00:00:00
abstract：:Classically, neurexins are thought to mediate synaptic connections through trans interactions with a number of different postsynaptic partners. Neurexins are cleaved by metalloproteases in an activity-dependent manner, releasing the soluble extracellular domain. Here, we report that in both immature (before synaptogen...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-75047-z
更新日期：2020-10-22 00:00:00
abstract：:Differential host responses may be critical determinants of distinct pathologies of West Nile virus (WNV) NY99 (pathogenic) and WNV Eg101 (non-pathogenic) strains. We employed RNA-seq technology to analyze global differential gene expression in WNV-infected mice brain and to identify the host cellular factors leading ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep26350
更新日期：2016-05-23 00:00:00
abstract：:The global left ventricular (LV) contractility index, dσ*/dtmax measures the maximal rate of change in pressure-normalized LV wall stress. We aim to describe the trend of dσ*/dtmax in differing severity of aortic stenosis (AS) with preserved left ventricular ejection fraction (LVEF) and the association of dσ*/dtmax wi...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-63777-z
更新日期：2020-04-30 00:00:00
