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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 | Nature:揭示干细胞惊人异质性显示文摘论文作者George Daley教授说:"这是一项非常基础的研究,但它阐明了多能性状态广泛性。我们捕获了干细胞不同状态的详细分子谱。"研究人员通过采用多种变量如不同的化学物质、培养环境和遗传敲除来扰乱多能干细胞,研究人员探究了它们的发育景观。随后,他们分析了每个细胞的遗传组成,观察了每个细胞多能状态的微小波动。他们发现内部、化学和环境信号影响干细胞方式的许多细微差异,揭示出了复杂的发育调控因子"决策"回路。 | Roshan M.Kumar Patrick Cahan Alex K.Shalek Rahul Satija A.Jay Daley Keyser Hu Li Jin Zhang Keith Pardee David Gennert John J.Trombetta Thomas C.Ferrante Aviv Regev George Q.Daley James J. Collins | 2014 | 岭南现代临床外科2014，14，6： | 10 |
| 3 | 植物挥发性有机物的分析方法(英文)显示文摘为了分析植物排放到大气中的挥发性有机物,在2000年l-6月期间,与美国国家大气研究中心(NCAR)的科学家共同发展和研究了一套自动的气相色谱系统和分析方法。该系统引人一个小型冰箱以除去空气样品进样时的水分,得到了对挥发性有机物样品进行分析时比较好的准确度。在5℃以及稳定的进样速率的条件下.可以得到比较好的除水效果。对NCAR附近的大气进行了采样,并利用此系统做了分析。本文简单介绍此自动系统以及样品分析结果。实验结果表明,此套系统具有良好的重复性和稳定性。 | 白建辉 王明星 胡非 James P.Greenberg Alex B.Guenther | 2002 | Advances in Atmospheric Sciences2002，19，1： | 6 |
| 4 | 植物挥发性有机物的初步研究显示文摘20 0 0年 1~ 6月期间 ,美国国家大气研究中心 (NCAR)和中国科学院大气物理研究所的科学家发展了一套自动的气相色谱系统和分析方法 ,用于分析大气中的挥发性有机物。此系统性能稳定 ,重复性好 ,对美国大气研究中心附近的大气进行了采样分析。 | 白建辉 王明星 胡非 James P.Greenberg Alex B.Guenther | 2003 | 气候与环境研究2003，8，2： | 5 |
| 5 | 《Science》杂志发表关于计算社会科学的文章:Computational Social Science显示文摘计算科学是一门正在兴起的综合性学科,它依赖于先进的计算机及计算技术对理论科学、大型实验、观测数据、应用科学、国防以及社会科学进行模型化、模拟与仿真、计算等。特别是对极复杂系统进行模型与程序化,然后利用计算机给出严格理论及实验无法达到的过程数据或者直接模拟出整个复杂过程的演变或者预测过程的发展趋势。对基础科学、应用科学、国防科学、社会科学以及工程技术等的发展有着不可估量的科学作用与经济效益。其中,随着信息化和网络化的不断普及与深入,社会动态变化的速度和规模已经提高到一个前所未有的水平,计算科学在社会科学中的深入应用,即计算社会科学也将成为科研信息化发展中一个新的热点。本刊对《Science》2009年2月发表的一篇关于计算社会科学的文章《Computational Social Science》进行了摘编,该文由美国多个大学及研究机构的共15名研究人员共同编写,文章从计算社会科学的数据获取、研究方法及其制约因素,以及人才的培养等几个方面,描述了计算社会科学的发展、讨论了社会科学研究的特点等。其主要目的是想借此文向广大读者介绍计算社会科学这一学科理念,推动这一对于提高社会科学研究水平和规范性的研究方法在国内的发展,并以此进一步繁荣我国社会科学研究工作。 | 张鉴 孔丽华 David Lazer Alex Pentland Lada Adamic Sinan Aral Albert-László Barabási Devon Brewer Nicholas Christakis Noshir Contractor James Fowler Myron Gutmann Tony Jebara Gary King Michael Macy Deb Roy Marshall Van Alstyne | 2010 | 科研信息化技术与应用2010，0，2： | 5 |
| 6 | Smart polymers for the controlled delivery of drugs–a concise overview显示文摘Smart polymers have enormous potential in various applications.In particular,smart polymeric drug delivery systems have been explored as“intelligent”delivery systems able to release,at the appropriate time and site of action,entrapped drugs in response to specific physiological triggers.These polymers exhibit a non-linear response to a small stimulus leading to a macroscopic alteration in their structure/properties.The responses vary widely from swelling/contraction to disintegration.Synthesis of new polymers and crosslinkers with greater biocompatibility and better biodegradability would increase and enhance current applications.The most fascinating features of the smart polymers arise from their versatility and tunable sensitivity.The most significant weakness of all these external stimuli-sensitive polymers is slow response time.The versatility of polymer sources and their combinatorial synthesis make it possible to tune polymer sensitivity to a given stimulus within a narrow range.Development of smart polymer systems may lead to more accurate and programmable drug delivery.In this review,we discuss various mechanisms by which polymer systems are assembled in situ to form implanted devices for sustained release of therapeutic macromolecules,and we highlight various applications in the field of advanced drug delivery. | Honey Priya James Rijo John Anju Alex Anoop K.R. | 2014 | Acta Pharmaceutica Sinica B2014，4，2： | 5 |
| 7 | Imaging of the anterior cruciate ligament显示文摘The anterior cruciate ligament(ACL)is an important structure in maintaining the normal biomechanics of the knee and is the most commonly injured knee ligament.However,the oblique course of the ACL within the intercondylar fossa limits the visualization and assessment of the pathology of the ligament.This pictorial essay provides a comprehensive and illustrative review of the anatomy and biomechanics as well as updated information on different modalities of radiological investigation of ACL,particularly magnetic resonance imaging. | Wing Hung Alex Ng James Francis Griffith Esther Hiu Yee Hung Bhawan Paunipagar Billy Kan Yip Law Patrick Shu Hang Yung | 2011 | World Journal of Orthopedics2011，2，8： | 4 |
| 8 | Growth Differentiation Factor 11 Is a Circulating Factor that Reverses Age-Related Cardiac Hypertrophy显示文摘 | Francesco S. Loffredo Matthew L. Steinhauser Steven M. Jay Joseph Gannon James R. Pancoast Pratyusha Yalamanchi Manisha Sinha Claudia Dall’Osso Danika Khong Jennifer L. Shadrach Christine M. Miller Britta S. Singer Alex Stewart Nikolaos Psychogios Robert | 2013 | Cell2013，，4： | 2 |
| 9 | The impact of group counseling on depression, post-traumatic stress and function outcomes: A prospective comparison study in the Peter C. Alderman trauma clinics in northern Uganda显示文摘 | Etheldreda Nakimuli-Mpungu James Okello Eugene Kinyanda Stephen Alderman Juliet Nakku Jeffrey S. Alderman Alison Pavia Alex Adaku Kathleen Allden Seggane Musisi | 2013 | Journal of Affective Disorders2013，，： | 2 |
| 10 | Targeted Deletion Reveals Essential and Overlapping Functions of the miR-17~92 Family of miRNA Clusters显示文摘 | Andrea Ventura Amanda G. Young Monte M. Winslow Laura Lintault Alex Meissner Stefan J. Erkeland Jamie Newman Roderick T. Bronson Denise Crowley James R. Stone Rudolf Jaenisch Phillip A. Sharp Tyler Jacks | 2008 | Cell2008，，5： | 2 |
| 11 | 医疗技术的进步推动医用纤维市场显示文摘 | Alex James 沈莉莉 | 2005 | 合成纤维2005，34，1： | 1 |
| 12 | On-line evidence for spontaneous trait inferences at encoding显示文摘 | Uleman James S Hon Alex Roman Robert J Moskowitz Gordon B | 1996 | Personality and Social Psychology Bulletin1996，22，4： | 1 |
| 13 | Double high-dose therapy with dose-intensive cyclophosphamide, etoposide, cisplatin (DICEP) followed by high-dose melphalan and autologous stem cell transplantation for relapsed/refractory Hodgkin lymphoma显示文摘 | Mona Shafey Qiuli Duan James Russell Peter Duggan Alex Balogh Douglas A. Stewart | 2012 | Leukemia & Lymphoma2012，，4： | 1 |
| 14 | Hyaluronidase 3 ( HYAL3 ) knockout mice do not display evidence of hyaluronan accumulation显示文摘 | Vasantha Atmuri Dianna C. Martin Richard Hemming Alex Gutsol Sharon Byers Solmaz Sahebjam James A. Thliveris John S. Mort Euridice Carmona Judy E. Anderson Shyamala Dakshinamurti Barbara Triggs-Raine | 2008 | Matrix Biology2008，，8： | 1 |
| 15 | A First in Human Phase 1 Study of CG0070, a GM-CSF Expressing Oncolytic Adenovirus, for the Treatment of Nonmuscle Invasive Bladder Cancer显示文摘 | James M. Burke Donald L. Lamm Maxwell V. Meng John J. Nemunaitis Joseph J. Stephenson James C. Arseneau Junko Aimi Seth Lerner Alex W. Yeung Troy Kazarian Daniel J. Maslyar James M. McKiernan | 2012 | The Journal of Urology2012，，6： | 1 |
| 16 | Electrolyte composition for Cu electrochemical mechanical planarization 显示文摘 | ABHINAV T CRAIG B IAN I S LI Y Z FRANCOIS D ALEX B JAMES M A | 2008 | Journal of The Electrochemical Society2008，155，7： | 1 |
| 17 | Advances in chemotherapy of non-small cell lung cancer显示文摘 | Julian RM Alex AA James RJ | 2006 | Chest2006，130，4： | 1 |
| 18 | Phenomenological models of cellulose pyrolysis显示文摘 | ALEX E S GREEN MAURICIO A ZANARDI JAMES P MULLIN | 1997 | Biomass and Bioenergy1997，13，2： | 1 |
| 19 | Selective termination for structural, chromosomal, and mendelian anomalies: International experience显示文摘 | Mark I. Evans James D. Goldberg Janet Horenstein Ronald J. Wapner Melissa A. Ayoub Joanne Stone Shlomo Lipitz Rueven Achiron Wolfgang Holzgreve Bruno Brambati Anthony Johnson Mark P. Johnson Alex Shalhoub Richard L. Berkowitz | 1999 | American Journal of Obstetrics and Gynecology1999，，4： | 1 |
| 20 | Advances in chemotherapy of Non-small cell lung cancer显示文摘 | Julian RM Alex AA James RJ | | 0，，04： | 1 |
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