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| 1 | The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies显示文摘The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD. | Scott Kirklin James E Saal Bryce Meredig Alex Thompson Jeff W Doak Muratahan Aykol Stephan Rühl Chris Wolverton | 2015 | npj Computational Materials2015，，1： | 62 |
| 2 | Hepatocellular carcinoma in patients with autoimmune hepatitis显示文摘AIM: To evaluate and confirm the low incidence of hepatocellular carcinoma (HCC) in patients with autoimmune hepatitis (AIH). At present only very few cases of HCC in patients with AIH and definite exclusion of chronic viral hepatitis have been published, suggesting that HCC due to AIH is rare. METHODS: In order to further investigate the incidence of HCC in patients with AIH, we reviewed our large cohort of 278 patients with AIH. RESULTS: Eighty-nine patients (32%) were diagnosed with liver cirrhosis, a preneoplastic condition for HCC. We studied a total of 431 patient years of cirrhosis in these patients, an average 4.8 years per patient. During this period none of the patients of our own study cohort developed HCC. However, three patients with HCC due to AIH associated liver cirrhosis were referred to our department for further treatment of HCC. In all three patients chronic viral hepatitis was excluded. CONCLUSION: We conclude that HCC may under rare circumstances develop due to chronic AIH dependent liver cirrhosis. Compared to other causes of liver cirrhosis such as chronic viral hepatitis, alcohol, or hemochromatosis, the incidence of HCC is significantly lower. Pathophysiological differences between AIH and chronic viral hepatitis responsible for differences in the incidence of HCC are yet to be further characterized and may lead to new therapeutic concepts in prevention and treatment of liver cancer. | Andreas Teufel Arndt Weinmann Catherine Centner Anja Piendl Ansgar W Lohse Peter R Galle Stephan Kanzler | 2009 | World Journal of Gastroenterology2009，15，5： | 5 |
| 3 | Late biliary complications in human alveolar echinococcosis are associated with high mortality显示文摘AIM:To evaluate the incidence of late biliary complications in non-resectable alveolar echinococcosis(AE)under long-term chemotherapy with benzimidazoles.METHODS:Retrospective analysis of AE patients with biliary complications occurring more than three years after the diagnosis of AE.We compared characteristics of patients with and without biliary complications,analyzed potential risk factor for biliary complications and performed survival analyses.RESULTS:Ninety four of 148 patients with AE in Zurich had non-resectable AE requiring long-term benzimidazole chemotherapy,of which 26(28%)patients developed late biliary complications.These patients had a median age of 55.5(35.5-65)years at diagnosis of AE and developed biliary complications after 15(8.25-19)years of chemotherapy.The most common biliary complications during long-term chemotherapy were late-onset cholangitis(n=14),sclerosing cholangitis-like lesions(n=8),hepatolithiasis(n=5),affection of the common bile duct(n=7)and secondary biliary cirrhosis(n=7).Thirteen of the 26 patients had undergone surgery(including 12 resections)before chemotherapy.Previous surgery was a risk factor for late biliary complications in linear regression analysis(P=0.012).CONCLUSION:Late biliary complications can be observed in nearly one third of patients with non-resectable AE,with previous surgery being a potential risk factor.After the occurrence of late biliary complications,the median survival is only 3 years,suggesting that late biliary complications indicate a poor prognostic outcome. | Pascal Frei Benjamin Misselwitz Meher K Prakash Alain M Schoepfer Bettina M Prinz Vavricka Beat Müllhaupt Michael Fried Kuno Lehmann Rudolf W Ammann Stephan R Vavricka | 2014 | World Journal of Gastroenterology2014，20，19： | 5 |
| 4 | Intensive blood pressure reduction in acute cerebral haemorrhage trial (INTERACT): a randomised pilot trial显示文摘 | Craig S Anderson Yining Huang Ji Guang Wang Hisatomi Arima Bruce Neal Bin Peng Emma Heeley Christian Skulina Mark W Parsons Jong Sung Kim Qing Ling Tao Yue Chun Li Jian Dong Jiang Li Wen Tai Jin Li Zhang En Xu Yan Cheng Stephane Heritier Lewis B Morgenste | 2008 | Lancet Neurology2008，，5： | 4 |
| 5 | 铝合金船舶的搅拌摩擦焊接工艺显示文摘0 引言
由英国焊接研究所(TWI)发明的搅拌摩擦焊(Friction Stir Welding简称FSW),是用一种利用耐磨的旋转工具将铝、镁和铜的板材或型材材料连接的工艺. | Fred Delany Stephan W Kallee Mike J Russell | 2007 | 焊接2007，，5： | 2 |
| 6 | Outcome of cytomegalovirus infections in patients with inflammatory bowel disease显示文摘 | Konstantinos A Papadakis Jim K Tung Scott W Binder Lori Y Kam Maria T Abreu Stephan R Targan Eric A Vasiliauskas | 2001 | The American Journal of Gastroenterology2001，，7： | 2 |
| 7 | Emission from quantum-dot high-β microcavities: transition from spontaneous emission to lasing and the effects of superradiant emitter coupling显示文摘Measured and calculated results are presented for the emission properties of a new class of emitters operating in the cavity quantum electrodynamics regime.The structures are based on high-finesse GaAs/AlAs micropillar cavities,each with an active medium consisting of a layer of InGaAs quantum dots(QDs)and the distinguishing feature of having a substantial fraction of spontaneous emission channeled into one cavity mode(highβ-factor).This paper demonstrates that the usual criterion for lasing with a conventional(lowβ-factor)cavity,that is,a sharp non-linearity in the input–output curve accompanied by noticeable linewidth narrowing,has to be reinforced by the equal-time second-order photon autocorrelation function to confirm lasing.The paper also shows that the equal-time second-order photon autocorrelation function is useful for recognizing superradiance,a manifestation of the correlations possible in high-βmicrocavities operating with QDs.In terms of consolidating the collected data and identifying the physics underlying laser action,both theory and experiment suggest a sole dependence on intracavity photon number.Evidence for this assertion comes from all our measured and calculated data on emission coherence and fluctuation,for devices ranging from light-emitting diodes(LEDs)and cavity-enhanced LEDs to lasers,lying on the same two curves:one for linewidth narrowing versus intracavity photon number and the other for g(2)(0)versus intracavity photon number. | Sören Kreinberg Weng W Chow Janik Wolters Christian Schneider Christopher Gies Frank Jahnke Sven Höfling Martin Kamp Stephan Reitzenstein 无 | 2017 | Light(Science & Applications)2017，6，1： | 2 |
| 8 | Genetic association of autoimmune hepatitis and human leucocyte antigen in German patients显示文摘AIM: To report on our large German collective and updated data of 142 patients with autoimmune hepatitis (AIH) type 1. METHODS: Key investigations performed were liver biopsy, serum autoantibodies as well as serum markers such as IgG and elevated transaminases. Antinuclear antigen (ANA) and smooth muscle antigen (SMA) autoantibodies characterized type 1 AIH. Type 3 (AIH) was solely characterized by the occurrence of soluble liver antigen/liver-pancreas antigen (SLA/LP) autoantibodies either with or without ANA or SMA autoantibodies. RESULTS: Most prevalent HLAs were A2 (68 patients, 48%), B8 (63 patients, 44%), C7 (90 patients, 63%), DR3 (49 patients, 38%), DR4 (49 patients, 38%) and DQ2 (42 patients, 30%). Compared to the Italian and North American patients, we found fewer patients with a DQ2 subtype. Furthermore, the B8-DR3-DQ2 human leucocyte antigen (HLA) was also less prominent compared to the North American patients. However, prevalences of B8, DR3, DR4, DR7, DR11 and DR13 were comparable to the Italian and North American patients. Furthermore, we report on an additional subgroup of patients with SLA/LP positive AIH. Generally, in this subgroup of patients the same HLA subtypes were favoured as the AIH type 1. CONCLUSION: Although HLA subtypes were comparable between these three collectives, the German patients were distinct from the Italian and North American patients with respect to DQ2 and from the North American patients with respect to B8-DR3-DQ2HLA. A clinical correlation, e.g. difference in severity or treatability of AIH type 1, has yet to be determined. | Andreas Teufel Markus Wrns Arndt Weinmann Catherine Centner Anja Piendl Ansgar W Lohse Peter R Galle Stephan Kanzler | 2006 | World Journal of Gastroenterology2006，12，34： | 2 |
| 9 | 铝合金船舶的摩擦搅拌焊接工艺显示文摘摩擦搅拌焊(FSW)是在低于工件材料熔点情况下操作的固相焊接,是在旋转情况下通过一种耐磨工具将板材或型材材料连接的工艺,可用于铝、镁、铜等的焊接,焊接质量优良。通常情况下,摩擦搅拌焊的焊缝强度超过热影响区。介绍了摩擦搅拌焊在造船和船舶制造业上的应用,以及船舶工业的研究需求。 | 弗莱德.德莱尼 Stephan W Kallee Mike J Russell | 2007 | 电焊机2007，37，6： | 2 |
| 10 | 2014 ESC/EACTS guidelines on myocardial revascularization显示文摘 | Stephan W Kolh P Alfonso F | 2015 | Rev Esp Cardiol(Engl Ed)2015，68，2： | 1 |
| 11 | Novel antiangiogenic effects of the bisphosphonate compound zoledronic acid 显示文摘 | KARINE B STEPHAN R | 2002 | J Pharmacol Exp Ther2002，302，： | 1 |
| 12 | On a Least Squares Adjustment of a Sampled Frequency Table when the Expected Marginal Totals are Known 显示文摘 | Deming W E Stephan F F | 1940 | The Annals of Mathematical Statistics1940，，11： | 1 |
| 13 | Anaphylactoid reactions to infusions of plasma protein and human serum albumin; role of aggregated proteins and of stabilizers added during production显示文摘 | Ring J Stephan W Brendel W | 1979 | Clin & Exp Allergy1979，9，1： | 1 |
| 14 | On a least squares adjustment ofa sampled frequency table when the expected marginal totalsare known显示文摘 | Deming W E Stephan F F | 1940 | Ann Math Stat1940，11，4： | 1 |
| 15 | On a Least Squares Adjustment of a Samples Frequency Table when the Expected Marginal Tables are Known显示文摘 | Deming W E Stephan F F | 1940 | Annals of Mathematical Statistics1940，，11： | 1 |
| 16 | Curvature-directed crystallization of poly-(vinylidene difluoride) in nanotube walls 显示文摘 | Martin S Stephan S Ralf B W | 2003 | Macromolecules2003，36，： | 1 |
| 17 | Science 显示文摘 | Ajayan P W StePhan C Colliex D Trauth | 1994 | 265(5176): 12121994，265，5176： | 1 |
| 18 | Measurement of water falling film thickness to flat plate using confocal chromatic sensoring technique显示文摘 | Zhou D W Gambaryan-Roisman T Stephan P | 2009 | Experimental Thermal and Fluid Science2009，33，： | 1 |
| 19 | Concentrations and mass fluxes of chloroacetic acids and trifluoroacetic acid in rain and natural waters in Switzerland显示文摘 | MICHEAL B STEPHAN R M ADRIAN W | 2000 | Environ Sci Technol2000，34，： | 1 |
| 20 | Morphotogical response of crop and weed species of different growth forms to UV-B radiation显示文摘 | BARNES P W STEPHAN D FLINT MARTYN MCALDWELL | 1981 | Amer J Bot1981，77，10： | 1 |
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