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| 1 | Towards efficient data exchange and sharing for big-data driven materials science:metadata and data formats显示文摘With big-data driven materials research,the new paradigm of materials science,sharing and wide accessibility of data are becoming crucial aspects.Obviously,a prerequisite for data exchange and big-data analytics is standardization,which means using consistent and unique conventions for,e.g.,units,zero base lines,and file formats.There are two main strategies to achieve this goal.One accepts the heterogeneous nature of the community,which comprises scientists from physics,chemistry,bio-physics,and materials science,by complying with the diverse ecosystem of computer codes and thus develops“converters”for the input and output files of all important codes.These converters then translate the data of each code into a standardized,codeindependent format.The other strategy is to provide standardized open libraries that code developers can adopt for shaping their inputs,outputs,and restart files,directly into the same code-independent format.In this perspective paper,we present both strategies and argue that they can and should be regarded as complementary,if not even synergetic.The represented appropriate format and conventions were agreed upon by two teams,the Electronic Structure Library(ESL)of the European Center for Atomic and Molecular Computations(CECAM)and the NOvel MAterials Discovery(NOMAD)Laboratory,a European Centre of Excellence(CoE).A key element of this work is the definition of hierarchical metadata describing state-of-the-art electronic-structure calculations. | Luca M.Ghiringhelli Christian Carbogno Sergey Levchenko Fawzi Mohamed Georg Huhs Martin Luders Micael Oliveira Matthias Scheffler | 2017 | npj Computational Materials2017，，1： | 5 |
| 2 | Luminescence intensification of lanthanide complexes by silver nanoparticles incorporated in sol-gel matrix显示文摘We present how the luminescence of europium RR-2-P-oxides complexes can be increased by interaction of electronic levels of the complex with the radiation field of silver nanoparticles (NPs). The procedure by which silver NPs are formed in a sol-gel polyurethane matrix precursor was elaborated. The formed Ag NPs were combined with Eu complex incorporated in ormocer matrix. The emission spectra of the complexes without silver NPs were compared with spectra of the same complexes with addition of silver NPs. As the result of the in- teraction of the electronic levels of lanthanide ligands with silver plasmons, dramatic increase of luminescence was observed. | Renata Reisfeld Marek Pietraszkiewicz Tsiala Saraidarov Viktoria Levchenko | 2009 | Journal of Rare Earths2009，27，4： | 3 |
| 3 | The large-scale production of graphene flakes using magnetically-enhanced arc discharge between carbon electrodes显示文摘 | I. Levchenko O. Volotskova A. Shashurin Y. Raitses K. Ostrikov M. Keidar | 2010 | Carbon2010，，15： | 2 |
| 4 | The IkappaB-NF-kappaB signaling module: temporal control and selective gene activation显示文摘 | Hoffmann A Levchenko A Scott M L | 2002 | Science2002，298，5596： | 2 |
| 5 | Cell transfection in vitro and in vivo with nontoxic TAT peptide-liposomeDNA complexes显示文摘 | TORCHILIN VP LEVCHENKO TS RAMMOHAN R | 2003 | Proc Natl Acad Sci USA2003，100，4： | 1 |
| 6 | In- formative value of the VCS parameters of peripheral blood neutrophils in the evaluation of status of pa- tients with recurrent and metastatic cervical cancer 显示文摘 | Gus'kova NK Nerodo GA Levchenko NE | 2010 | Klin Lab Diagn2010，，3： | 1 |
| 7 | Institutional Quality and International Trade显示文摘 | Levchenko A A | 2007 | Review of Eco- nomic Studies2007，，74： | 1 |
| 8 | Preparation and some properties of SoB2 single crys- tals 显示文摘 | Levchenko G Lyaschenko A Baumer V | 2006 | J Solid State Chem2006，33，： | 1 |
| 9 | Angiomotin:an angiostatin binding protein that regulates endothelial cell migration and tube formation显示文摘 | Troyanovsky B Levchenko T M(a)nsson G | 2001 | J Cell Biol2001，152，6： | 1 |
| 10 | The IκB - NF-κB signaling module: temporal control and selective gene activation显示文摘 | Hoffmann A Levchenko A Ecoll ML | 2002 | Science2002，298，5596： | 1 |
| 11 | Thermo-chemistry of microporous and mesoporous materials 显示文摘 | NAVROTSKY A TROFYMLUK O LEVCHENKO A A | 2009 | Chem Rev2009，109，9： | 1 |
| 12 | TAT-liposomes: a novel intracellular drug carrier 显示文摘 | TORCHILIN V P LEVCHENKO T S | 2003 | Cur Protein Pept Sei2003，4，2： | 1 |
| 13 | Financial Liberaliza- tion and Consumption Volatility in Developing Countries 显示文摘 | Levchenko A | 2005 | International Monetary Fund StaffPapers2005，，2： | 1 |
| 14 | Cell transfection in vitro and in vivo with nontoxic TAT peptide-liposome-DNA complexes 显示文摘 | TORCHILIN V P LEVCHENKO T S RAMMOHAN R | 2003 | Proc Natl Acad Sci USA2003，100，4： | 1 |
| 15 | Thermochemistry of microporous and mesoporous materials 显示文摘 | Navrotsky A Trofymluk O Levchenko A A | 2009 | Chem Rev2009，109，9： | 1 |
| 16 | Effects of cytochrome P-450 metabolites of arachidonic acid on the epithelial sodium channel (ENaC)显示文摘 | Pavlvo TS Ilatovskaya DV Levchenko V | 2011 | Am J Physiol Renal Physiol2011，301，3： | 1 |
| 17 | Cold transientlyactivates calcium permeable channels in Arabidopsis mesophyllcells显示文摘 | Carpaneto A Ivashikina N Levchenko V | 2007 | Plant Physio2007，143，： | 1 |
| 18 | Informative value of the VCS parameters of peripheral blood neutrophils in the evaluation of status of patients with recurrent and metastatic cervical cancer显示文摘 | Gus'kova NK Nerodo GA Levchenko NE | | 0，，03： | 1 |
| 19 | A critical assess- ment of Li/MgO-based catalysts for the oxidative coupling of meth-ane显示文摘 | ARNDT S LAUGEL G LEVCHENKO S | 2011 | Catalysisreviews:scienceandengineering2011，53，4： | 1 |
| 20 | Effect of preoperative chemotherapy, mediastinallymph node dissection and stump cover on bronchial regeneration following experimental pneumonectomy显示文摘 | Levchenko E V Orlov S V Lisochkin B G | 2005 | Vopr Onkol2005，51，5： | 1 |
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