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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 | Low molecular weight chitosans:preparation with the aid of papain and characterization显示文摘 | Vishu Kumar AB Varadaraj MC Lalitha RG | 2004 | Biochim Biophys Acta2004，1670，： | 1 |
| 3 | Spinal anaesthesia with a micro-catheter in high-risk patients undergoing colorectal cancer and other major abdominal surgery 显示文摘 | Kumar CM Corbett WA Wilson RG | 2008 | Surgicaloncology2008，17，2： | 1 |
| 4 | Pediatric asthma: Principles and treatment 显示文摘 | Robison RG Kumar R | 2012 | Allergy Asthma Proc2012，33，： | 1 |
| 5 | Chronic pain after laparoscopic and open mesh repair of groin hernia 显示文摘 | Kumar S Wilson RG Nixon SJ | 2002 | Br J Surg2002，89，11： | 1 |
| 6 | Chronic pain after laparoscopic and open mesh repair of groin hernia显示文摘 | KUMAR S WILSON RG NIXON S J | 2002 | Br J Surg2002，89，11： | 1 |
| 7 | Maternal smoking during pregnancy, prematurity and recurrent wheezing in early childhood 显示文摘 | Robison RG Kumar R Arguelles LM | 2012 | Pediatr Pulmono12012，47，7： | 1 |
| 8 | Hospitalacquired pneumonia is an independent predictor of poor global outcome in severe traumatic brain injury up to 5years after discharge显示文摘 | Kesinger MR Kumar RG Wagner AK | 2015 | J Trauma Acute Care Surg2015，78，2： | 1 |
| 9 | Effect of cadmium on lipid peroxidation,superoxide anion generation and activities of antioxidant enzymes in growing rice seedlings显示文摘 | Shah K Kumar RG Verma A | 2001 | Plant Sci2001，161，： | 1 |
| 10 | Chronic pain after laparoscopic and open mesh repair of groin hernia 显示文摘 | Kumar S Wilson RG Nixon SJ | 2002 | Br J Surg2002，89，11： | 1 |
| 11 | Air injection and water flood performance comparison of two adjacent units in Buffalo field-economic analysis显示文摘 | Kumar V K Gutierrez D Moore RG | 2006 | SPE 1044792006，，： | 1 |
| 12 | Chronic pain after laparo- scopic and open mesh repair of groin hernia显示文摘 | Kumar S Wilson RG Nixon SJ | 2002 | Br J Surg2002，89，11： | 1 |
| 13 | Hospital-acquired pneumonia is an independent predictor of poor global outcome in severe traumatic brain injury up to 5years after discharge显示文摘 | Kesinger MR Kumar RG Wagner AK | 2015 | J Trauma Acute Care Surg2015，78，2： | 1 |
| 14 | Surface oxidation of NiTi shape memory alloy显示文摘 | Firetov GS Vitchev RG Kumar H | 2002 | Biomaterials2002，23，： | 1 |
| 15 | Effect of cadmium on lipid peroxidation,superoxide anion generation and activities of antioxidant enzymes in growing rice seedlings显示文摘 | SHAH K KUMAR RG VERMA S | 2001 | Plant Science2001，161，6： | 1 |
| 16 | Effect of cadmium on lipid peroxidation,superoxide anion generation and activities of antioxidant enzymes in growing rice seedlings显示文摘 | Shah K Kumar RG Verma A | 2001 | Plant Sci2001，161，6： | 1 |
| 17 | Lowmolecular weight chitosans:Preparation with the aid of papainand characterization显示文摘 | Vishu Kumar AB Varadarajm C Lalitha RG | 2004 | Biochim Biophys Acta2004，1670，2： | 1 |
| 18 | A comparative pilot study of litholytic properties of Celosia argental(Sitivaraka) versus potassium citrate in renal calculus disease显示文摘 | Singh RG Singh TB Kumar R | 2012 | The Journal of Alternative and Complementary Medicine:Research on Paradigm Practice and Policy2012，18，5： | 1 |
| 19 | Chronic pain after laparoscopic and open mesh repair of groin hemia显示文摘 | Kumar S Wilson RG Nixon SJ | 2002 | Br J Surg2002，89，： | 1 |
| 20 | Recombinant human erythropoietin therapy for treatment of anemia of premature in every low birth weight infants:a randomized,double-blind,placebo controlled trial显示文摘 | Kumar P Shankaran S Krishnan RG | 1998 | J Perinatol1998，18，3： | 1 |
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