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46篇 您的检索式:作者名="Baur V"
    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
2CD24 promotes invasion of glioma cells in vivo显示文摘Senner V Sturm A Baur I 1999J Neuropathol Expneurol1999,58,:1
3Impacts of rainfall events on rmloff water quality in an agricultural envirormient in temperate areas 显示文摘Delpla I Baures E Jung A V 2011Science of the Total Environment2011,409,:1
4CD24 promotes invasion of glioma eels in vivo 显示文摘Senner V Sturm A Baur I 1999J Neuropathol Exp Neurol1999,58,8:1
5A phase II trial of docetaxel (Taxotere)as second-line chemotherapy in patients with metastatic breast cancer显示文摘Baur M van Oosterom AT Di&as V 2008J Cancer Res Clin Oncol2008,134,2:1
6Solar wind neon from genesis: Implications for the lunar noble gas record 显示文摘Grimberg A Baur H Bochsler P Buhler F Burnett D S Hays C C Heber V S Jurewicz A J G Wieler R 2006Science2006,314,5802:1
7Different radiosensitivity of smooth muscle cells and endothelial cells in vitro as demonstrated by irradiation from a Re-188 filled balloon catheter显示文摘Kotzerke J Gertler R Buchmann I Baur R Hombach V Norbert Reske S 2000Atherosclerosis2000,152,:1
8CD24 promotes invasion of glioma cells in vivo显示文摘Senner V Sturm A Baur I 1999J Neuropathol Exp Neurol1999,58,8:1
9White matter alterations in social anxiety disorder显示文摘Baur V H(a)nggi J Rufer M 2011J Psychiatr Res2011,45,:1
10The Complexity of Partial Derivatives显示文摘BAUR W STRASSEN V 1983Theoretical Computer Science1983,,22:1
11CD24 promotes invasion of glioma cells in vivo 显示文摘Senner V Sturm A Baur I 1999Neuropathol Exp Neurol1999,58,8:1
12Evidence of frontotemporal structural hypoconnectivity in social anxiety disorder:a quantitative fiber tractography study显示文摘Baur V Brühl AB Herwig U 2013Hum Brain Mapp2013,34,:1
13BI-RADS 3 lesions at contrast-enhanced breast MRI: is an initial short-interval follow-up necessary? 显示文摘Bahrs SD Baur A Hattermann V 2014Acta Radiologica2014,55,3:1
14Differential ligand-dependent interactions between the AF-2 activating domain of nuclear receptors and the putative transcriptional intermediary factors mSUG1 and TIF1显示文摘vom Baur E Zechel C Heery D Heine M J Garnier J M Vivat V Le Douarin B Gronemeyer H Chambon P Losson R 1996EMBO J1996,15,1:1
15CD24 Promotesinvasion of Glioma Cells in Vivo显示文摘Senner V Sturm A Baur I 1999J Neuropathol Exp Neurol1999,58,8:1
16A phase Ⅱ trial of docetaxel (Taxotere (R)) as second-line chemotherapy in patients with metastatic breast cancer 显示文摘Baur M van Oosterom A T Dieras V 2008J Cancer Res Clin Oncol2008,134,2:1
17CD24 promotes invasion of glioma cells in vivo显示文摘Senner V Sturm A Baur I 1999J Neuropathol Exp Neurol1999,58,:1
18Diagnosis-related fre- quency of compulsory measures in 10 German psychiatrichospi- tals and correlates with hospital characteristics 显示文摘Steinert MT Martin V Baur M 2007Soc Psy- chiatry Psychiatr Epidemiol2007,42,2:1
19CD24 promotes in vasion of blioma cells in vivo显示文摘Senner V Sturm A Baur I 1999J Neuropathol Exp Neurol1999,58,:1
20A phase Ⅱ trial of docetaxel(Taxotere)as second line chemotherapy in patients with metastatic breast cancer显示文摘Baur M Oosterom AT Deras V 2008JCancer Res Clin Oncol2008,134,2:1
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