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80篇 您的检索式:作者名="Stan G"
    题名 作者 年代 出处 被引量
1Machine-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 2020npj Computational Materials2020,,1:10
2Low coverage adsorption in cy- lindrical pores 显示文摘Stan G Cole M W 1998Surface Science1998,395,23:1
3Present problems of intra-and extra-lobar pulmonary sequestration显示文摘Coman C Stan A Georgescu G 1973Poumon Coeur1973,29,2:1
4Energy levels of an anisotropic three-dimensional polaron in a magnetic field显示文摘 Stan G 2001Phys Rev2001,63,23:1
5Confirmation of organophosphorus pesticide residues in food applying gas chromatography/mass spectrometry with chemical ionization and pulsed positive negative detection显示文摘STAN H J KELLNER G 1989Biomed Environ Mass Spectr1989,18,:1
6Di- ameter dependent radial and tangential elastic moduli of ZnO nanowires 显示文摘Stan G Ciobanu C V Parthangal P M Cook R F 2007Nano Letters2007,7,12:1
7Comparative analysis of the biosorption of cadmium, lead, nickel, and zinc by algae 显示文摘KIimmek S Stan H J Bunke A W G 2001Environmental Science and Technology2001,35,21:1
8Corn pressive stress effect on the radial elastic modulus of oxidized Si nanowires 显示文摘Stan G Krylyuk S Davydov A V Cook R F 2010Nano Letters2010,10,6:1
9Energy levels of an anisotropic three-dimensional polaron in a magnetica field显示文摘 Stan G 2001Phys Rev B2001,62,23:1
10Cost Effectiveness Analysis of Knee Osteoarthritis Treatment 显示文摘Stan G Orban H Orban C 2015Chirurgia2015,110,4:1
11Low coverage adsorption in cylin-drical pores 显示文摘STAN G COLE M W 1998Surf Sci1998,395,:1
12Elastic modulus of low k dielectric thin films measured by load-dependent contact resonance atomic force microscopy 显示文摘Stan G King S W Cook R F 2009Jour nal of Materials Research2009,24,9:1
13Investgation of multipotent postanal stem cells from periodontal ligament显示文摘Byoung MS Masako M Stan G 2004lancet2004,364,9429:1
14Different approaches to superhard coatings and nanocomposites显示文摘STAN V MARITZA G J V H PAVLA K JAN P 2005Thin Solid Films2005,476,:1
15Experimental validation of high Reynolds number CFD simulations of heat transfer in a pilot-scale fixed bed tube显示文摘Dixon A G Gregory Walls Helen Stanness 2012Chemical Engineering Journal2012,200,:1
16Industrial applications of superhard nanocomposite coatings 显示文摘Stan Veprek Maritza J G Veprek - Heijman 2008Surf Coat Tech2008,202,:1
17Decentralised minimum-time con- sensus 显示文摘Yuan Y Stan G Shi L 2013Automatica2013,49,5:1
18iPSC for Dental Tissue Regenera- tion 显示文摘Kim H Stan G Mark B 2014Kim Current Oral Health Reports2014,1,1:1
19A generalized insertion heuristic for the traveling sales- man problem with time windows显示文摘Gendreau M Hertz A Laporte G Stan M 1998Operations Research1998,46,3:1
20Nanoscale mechanics by tomographic contact resonance atomic force microscopy显示文摘STAN G SOLARES S D PIrFFENGER B 2014Nanoscale2014,,6:1
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