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| 1 | Machine-learned interatomic potentials by active learning:amorphous and liquid hafnium dioxide显示文摘We propose an active learning scheme for automatically sampling a minimum number of uncorrelated configurations for fitting the Gaussian Approximation Potential(GAP).Our active learning scheme consists of an unsupervised machine learning(ML)scheme coupled with a Bayesian optimization technique that evaluates the GAP model.We apply this scheme to a Hafnium dioxide(HfO2)dataset generated from a“melt-quench”ab initio molecular dynamics(AIMD)protocol.Our results show that the active learning scheme,with no prior knowledge of the dataset,is able to extract a configuration that reaches the required energy fit tolerance.Further,molecular dynamics(MD)simulations performed using this active learned GAP model on 6144 atom systems of amorphous and liquid state elucidate the structural properties of HfO2 with near ab initio precision and quench rates(i.e.,1.0 K/ps)not accessible via AIMD.The melt and amorphous X-ray structural factors generated from our simulation are in good agreement with experiment.In addition,the calculated diffusion constants are in good agreement with previous ab initio studies. | Ganesh Sivaraman Anand Narayanan Krishnamoorthy Matthias Baur Christian Holm Marius Stan Gábor Csányi Chris Benmore Álvaro Vázquez-Mayagoitia | 2020 | npj Computational Materials2020，，1： | 10 |
| 2 | RF thermal and new cold part design studies on a TTF-Ⅲ input coupler for Project-X显示文摘An RF power coupler is one of the key components in a superconducting (SC) linac. It provides RF power to the SC cavity and interconnects different temperature layers (1.8 K, 4.2 K, 70 K and 300 K). The TTF-Ⅲ coupler is one of the most promising candidates for the High Energy (HE) linac of Project X, but it cannot meet the average power requirements because of the relatively high temperature rise on the warm inner conductor, so some design modifications will be required. In this paper, we describe our simulation studies on the copper coating thickness on the warm inner conductor with RRR values of 10 and 100. Our purpose is to rebalance the dynamic and static loads, and finally lower the temperature rise along the warm inner conductor. In addition, to get stronger coupling, better power handling and less multipacting probability, one new cold part design was proposed using a 60 mm coaxial line; the corresponding multipacting simulation studies have also been investigated. | 裴士伦 Chris E Adolphsen 李增海 Nikolay A Solyak Ivan V Gonin | 2012 | Chinese Physics C2012，36，2： | 2 |
| 3 | A single nucleotide polymorphism in the first intron of the human IFN-γ gene:显示文摘 | Vera Pravica Chris Perrey Adam Stevens Jar-How Lee Ian V Hutchinson | 2000 | Human Immunology2000，，9： | 2 |
| 4 | Personalising pancreas cancer treatment:When tissue is the issue显示文摘The treatment of advanced pancreatic cancer has not moved much beyond single agent gemcitabine until recently when protocols such as FOLFIRINOX(fluorouracil,leucovorin,irinotecan and oxaliplatin)and nab-paclitaxelgemcitabine have demonstrated some improved outcomes.Advances in technology especially in massively parallel genome sequencing has progressed our understanding of the biology of pancreatic cancer especially the candidate signalling pathways that are involved in tumourogenesis and disease course.This has allowed identification of potentially actionable mutations that may be targeted by new biological agents.The heterogeneity of pancreatic cancer makes tumour tissue collection important with the aim of being able to personalise therapies for the individual as opposed to a one size fits all approach to treatment of the condition.This paper reviews the developments in this area of translational research and the ongoing clinical studies that will attempt to move this into the everyday oncology practice. | Katrin M Sjoquist Venessa T Chin Lorraine A Chantrill Chelsie O'Connor Chris Hemmings David K Chang Angela Chou Marina Pajic Amber L Johns Adnan M Nagrial Andrew V Biankin Desmond Yip | 2014 | World Journal of Gastroenterology2014，20，24： | 2 |
| 5 | Enhancing the Trust-based Recommendation Process with Explicit Dis-trust显示文摘 | Patricia V Nele V Chris C | 2013 | ACM Transactions on the Web2013，7，2： | 1 |
| 6 | Quantitative susceptibility of Streptococcus suis strains isolated from diseased pigs in seven European countries to antimicrobial agents licenced in veterinary medicine显示文摘 | Henk J W Kees T V Chris V E | 2006 | Veterinary Microbiology2006，113，： | 1 |
| 7 | Femtosecond laser cataract surgery: technology and clinical practice显示文摘 | Timothy V Roberts Michael Lawless Colin CK Chan Mark Jacobs David Ng Shveta J Bali Chris Hodge Gerard Sutton | 2012 | Clinical & Experimental Ophthalmology2012，，2： | 1 |
| 8 | Conversion Hemiarthroplasty and Valgus Osteotomy After Failed ORIF of Hip Intertrochanteric Fractures显示文摘 | Talmo Carl T Sambaziotis Chris Bono James V | 2013 | Orthopedics (Online)2013，，9： | 1 |
| 9 | Superoxide dismutase and stress tolerance显示文摘 | Chris B Marc V H Did I | 1992 | Ann Rev Plant Physoil Plant Mol Bid1992，43，： | 1 |
| 10 | Improving software-quality predictions with data sampling and boosting显示文摘 | Chris S Taghi M K Jason V H | 2009 | IEEE Trans- actions on Systems Man and Cybernetics2009，39，6： | 1 |
| 11 | The inflammatory bowel disease (IBD) susceptibility genes NOD1 and NOD2 have conserved anti-bacterial roles in zebrafish显示文摘 | Stefan H O Maria V F Chris J H | 2011 | Dis Mod Meehan2011，4，6： | 1 |
| 12 | Comparison of the antioxidant activity of aspalathin with that of other plant phenols of rooibos tea(Aspal- athus linearis ) α-Tocopherol, BHT and BHA 显示文摘 | ASTRID V G ELIZABETH J CHRIS F H | 1997 | J Agrie Food Chem1997，45，： | 1 |
| 13 | Holistic views of knowledge management models显示文摘 | BAIYIN Y WEI Z CHRIS V | 2009 | Advances in Developing Human Resources2009，11，3： | 1 |
| 14 | The life cycle of Phaeocystis: state of knowledge and presumptive role in ecology显示文摘 | ROUSSEAU V CHRI~TIENNOT-DINET M J JACOBSEN A | 2007 | Biogeoehemistry2007，83，： | 1 |
| 15 | Superoxide dismutase and stress tolerance显示文摘 | CHRIS B MARC V M DIRK I | 1992 | Annual Review Plant Physiol and Plant Molecular Biology1992，43，： | 1 |
| 16 | Identification of the sex pheromone of Holotrichia reynaudi显示文摘 | Andrew W Chris M Anitha V | 2002 | Journal of Chemical Ecology2002，28，3： | 1 |
| 17 | Fecal pH and microbial populations in thoroughbred horses during transition from pasture to concentrate feeding 显示文摘 | Mariette V D B Simone O Hoskin Chris W R et at | 2013 | Journal of Equine Veteri- nary Science2013，，33： | 1 |
| 18 | Configurations in manufacturing strategy: a review and direction for future research 显示文摘 | Cecil Bozarth V \ Chris Dermott | 1998 | Journal of Operations Management1998，16，1998： | 1 |
| 19 | Emergence and stability of high-pressure resistance in different food-borne pathogens 显示文摘 | Dietrich V Nele R Chris W | 2012 | Appl Environ Microbiol2012，78，9： | 1 |
| 20 | Local and synoptic en-ironments associated with freezing rain in the contiguous United States显示文摘 | Chris C Robbins John V Cortinas J R | 2002 | Wea Forecasting2002，17，： | 1 |
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