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| 1 | Design and discovery of materials guided by theory and computation显示文摘Computational materials science and engineering has emerged as an interdisciplinary subfield spanning materials science and engineering,condensed matter physics,chemistry,mechanics and engineering in general.Modern materials research often requires a close integration of computation and experiments in order to fundamentally understand the materials structures and properties and their relation to synthesis and processing.A number of computational methods and tools at different spatiotemporal scales are now well established,ranging from electronic structure calculations based on density functional theory,1,2 atomic molecular dynamics3,4 and Monte Carlo techniques,5 phase-field method6–9 to continuum macroscopic approaches.Over the last few years,computational materials activities have been steadily moving from technique development and purely computational studies of materials towards discovering and designing new materials guided by computation,machine learning and data mining or by a closely tied combination of computational predictions and experimental validation.This movement is being further accelerated by the recent initiatives by various government agencies in the United States,Europe,China and other countries to pursue the materials genome initiative,10 integrated computational materials engineering11–13 as well as the‘Big Data’initiative. | Long-Qing Chen Li-Dong Chen Sergei V Kalinin Gerhard Klimeck Sanat K Kumar Jörg Neugebauer Ichiro Terasaki | 2015 | npj Computational Materials2015，，1： | 2 |
| 2 | IL 28 B genotype is not useful for predicting treatment outcome in A sian chronic hepatitis B patients treated with pegylated interferon‐α显示文摘 | Jacinta A Holmes Tin Nguyen Dilip Ratnam Neel M Heerasing Jane V Tehan Sara Bonanzinga Anouk Dev Sally Bell Stephen Pianko Robert Chen Kumar Visvanathan Rachel Hammond David Iser Ferry Rusli William Sievert Paul V Desmond D Scott Bowden Alexander J Thomps | 2013 | J Gastroenterol Hepatol2013，，5： | 2 |
| 3 | A comparison of seven soil P tests for plant species with different external P requirements grown on soils containing rock phosphate and superphosphate residues 显示文摘 | KUMAR V GILKES R J BOLLAND M D A | 1993 | Fertiliser Research1993，33，： | 1 |
| 4 | Cooperative Air and Ground Surveillance显示文摘 | Groeholsky B Keller J Kumar V | 2006 | IEEE Robotics and Automation Magazine2006，，13： | 1 |
| 5 | Fiber sensor for the simultaneous measurement of current and voltage in a high-voltage system 显示文摘 | Rajkumar N Kumar V J Sankaran P | 1993 | Applied Optics1993，32，7： | 1 |
| 6 | High level phytase pro- duction by Aspergillus niger NCIM 563 in solid state culture: re- sponse surface optimization, up -scaling, and its partial charac- terization 显示文摘 | Bhavsar K Kumar V R Khire J M | 2011 | J Ind Microbiol Biotechnol2011，38，9： | 1 |
| 7 | Solvent extraction of Hf(IV) from acidic chloride solutions using Cyanex 302显示文摘 | REDDY B R KUMAR J R RAJA K P REDDY A V | 2004 | Minerals Engineering2004，17，： | 1 |
| 8 | Benzoyl Cyanide: A Mild and Efficient Reagent for Benzoylation of Nucleosides 显示文摘 | PRASAD A K KUMAR V MAITY J | 2005 | Synthetic Communications2005，35，： | 1 |
| 9 | Leader-to-formation stability 显示文摘 | Tanner H G Pappas G J Kumar V | 2004 | IEEE Transactions on Robotics and Auto- mation2004，20，3： | 1 |
| 10 | Study of occupational stress among railway engine pilots显示文摘 | KUMAR D SINGH J V KHARWAR P S | 2011 | Indian J Occup Environ Med2011，15，1： | 1 |
| 11 | Modeling and control of formations of nonholonomic mobile robots显示文摘 | Desai J P Ostrowski J P Kumar V | 2001 | IEEE Transactions on Robotics and Automation2001，17，6： | 1 |
| 12 | Experimental characterization of the tensile behavior of microcellular polycarbonate foams显示文摘 | Kumar V VanderWel M Weller J | | 0，，04： | 1 |
| 13 | Response of the shot hole borer of tea, Xyleborus fornicatus (Goleoptera: Scolytidae) to eonspecifies and plant semiochemicals显示文摘 | Karunaratne W S Kumar V Pettersson J | 2008 | Aeta Agrieuhurae Seandinavica Section PSoil and Plant Science2008，58，4： | 1 |
| 14 | High-performance liquid chromatographic analysis of ampho-tericin B in rat plasma using α-naphthol as an internal standard显示文摘 | ITALIA J L SINGH D KUMAR M N V R | 2009 | Anal Chim Acta2009，634，1： | 1 |
| 15 | Grain refinement in AZ91 magnesium alloy during thermomechanical processing 显示文摘 | KUMAR N V R BLANDIN J J DESRAYAUD C MONTHEILLET F SUERY M | 2003 | Materials Science and Engineering A2003，359，： | 1 |
| 16 | Dermatomyositis associated with acute myelocytic leukemia 显示文摘 | Shrivastav A Kumar V Pal J | 2010 | Rheumatol Int2010，30，5： | 1 |
| 17 | Modeling and control of formations of nonholonomic mobile robots显示文摘 | Desai J Ostrowski J Kumar V | 2001 | IEEE Trans on Robotics and Automation2001，17，6： | 1 |
| 18 | Effect of alloying elements on the ignition resistance of magnesium alloys显示文摘 | Kumar N V R Blandin J J Suery M Grosjean E | | 0，，3： | 1 |
| 19 | Density de- pendenee and induced resistance or behavioural response of the shot hole borer of tea, Xyleborus fornicatus (Coleoptera: Sco- lytidae) to conspeeifics and plant odours显示文摘 | Karunaratne W S Kumar V Pettersson J | 2009 | Acta Agrieulturae Scandinavica Section BSoil and Plant Sdence2009，59，4： | 1 |
| 20 | Spatio-temporal analysis for monitoring urban growth: a case study of Indore city 显示文摘 | Kumar J A V Pathan S K Bhanderi R J | 2007 | Journal of the Indian Society of Remote Sensing2007，35，1： | 1 |
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