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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 | Chronic kidney disease after nephrectomy in patients with renal cortical tumours: a retrospective cohort study显示文摘 | William C Huang Andrew S Levey Angel M Serio Mark Snyder Andrew J Vickers Ganesh V Raj Peter T Scardino Paul Russo | 2006 | Lancet Oncology2006，，9： | 4 |
| 3 | Continuing episodes of pain in recurrent acute pancreatitis: Prospective follow up on a standardised protocol with drugs and pancreatic endotherapy显示文摘AIM To assess the outcomes of drug therapy(DT)followed by pancreatic endotherapy for continuing painful episodes in recurrent acute pancreatitis.METHODS DT comprised of pancreatic enzymes and antioxidants failing which,endotherapy(ET;pancreatic sphincterotomy and stent placement)was done.The frequency of pain,its visual analogue score(VAS),quality of life(Qo L),serum C peptide and faecal elastase were compared between baseline and after 1 year of follow up in all patients and in the two subgroups on DT and ET.Response was defined as at least 50%reduction in the severity of pain to below a score of 5.RESULTS Of the thirty nine patients analysed,21(53.9%)responded to DT and 18(46.1%)underwent ET.The VAS for pain(7.0±2.0 vs 1.3±2.5,P<0.001)and the number of days with pain per month decreased[1.0(1.0,2.0)vs 1.0(0.0,1.0),P<0.001],and the Qo L scores[55.0(44.0,66.0)vs 38.0(32.00,51.00),P<0.01]improved significantly during follow up.Similar significant improvements were seen in patients in the subgroups of DT and ET except for Qo L in ET.The serum C-peptide(P=0.001)and FE(P<0.001)levels improved significantly in the entire group and in the two subgroups of patients except for the C peptide levels in patients on DT.CONCLUSION A standardised protocol of DT,followed by ET decreased the intensity and frequency of pain in recurrent acute pancreatitis,enhanced Qo L and improved pancreatic function. | C Ganesh Pai M Ganesh Kamath Mamatha V Shetty Annamma Kurien | 2017 | World Journal of Gastroenterology2017，23，19： | 2 |
| 4 | Three-dimensional visualization and microstructure-based modeling of deformation in particle-reinforced composites显示文摘 | Chawla N Sidhu R S Ganesh V | 2006 | Acta Materialia2006，54，6： | 1 |
| 5 | Association of gene poly- morphism with genetic susceptibility to stroke in Asian popula- tions : a meta- analysis 显示文摘 | BANERJEE I GUPTA V GANESH S | 2007 | J Hum Genet2007，52，3： | 1 |
| 6 | Microemulsion phase as a medium for electrodeposition of nickel and electron - transfer study of ferrocyanide - ferricyanide redox system 显示文摘 | Ganesh V Lakshminarayanan V | 2010 | J Colloid Interf Sci2010，349，1： | 1 |
| 7 | Association of gene polymorphism with genetic susceptibility to stroke in Asian populations: a meta- analysis显示文摘 | Banerjee I Gupta V Ganesh S | 2007 | J Hum Genet2007，52，3： | 1 |
| 8 | Thermal expansion of plain weave fabric laminates 显示文摘 | Ganesh V K Naik N K | 1994 | Composites Science and Technology1994，51，3： | 1 |
| 9 | 显示文摘 | Ganesh V A Raut H K Nair A S | 2011 | Journal of Materi- als Chemistry2011，41，16： | 1 |
| 10 | Enhancement of antimicrobial activities of naturally occurring phenolic compounds by nanoscale delivery against Listeria monocytogenes,Escherichia coli O157:H7and Salmonella typhimurium in broth and chicken meat system显示文摘 | RAVICHANDRAN M HETTIARACHCHY N S GANESH V | 2011 | Journal of Food Safety2011，31，4： | 1 |
| 11 | Particle swarm opti- mization: Basic concepts, variants and applications in power systems 显示文摘 | YAMIIJ E D V GANESH K V | 2008 | IEEE Transactions on Evolutionary Computation2008，12，2： | 1 |
| 12 | Effect of particle orientation anisotropy on the tensile behavior of metal matrix composites~ experiments and microstructure-based simulation 显示文摘 | GANESH V V CHAWLA N | 2005 | Materials Science and Engineering A2005，391，12： | 1 |
| 13 | Association of gene polymorphism with genetic susceptibility to stroke in Asian populations : a meta - analysis 显示文摘 | Banerjee I Gupta V Ganesh S | 2007 | J Hum Genet2007，52，3： | 1 |
| 14 | Effect of microarc oxidized layer thickness on plain fatigue and freeing fatigue behaviour of Al-Mg-Si alloy 显示文摘 | Rajasekaran S Ganesh Sundara Raman Joshi S V | 2008 | International Journal of Fatigue2008，30，7： | 1 |
| 15 | Three-dimensional (3D) microstructure visualization and finite element modeling of the mechanical behavior of SiC particle reinforced aluminum composites显示文摘 | Chawla N Ganesh V V Wunsch B | 2004 | Scripta Mater2004，51，3： | 1 |
| 16 | Intracellular signaling mecha-nisms mediating the an tiproliferative and apoptotic effects ofγ-to-cotrienol in neoplastic mammary epithelial cells显示文摘 | Paul W Sum it J Ganesh V | 2005 | Journal of Plant Physiology2005，，7： | 1 |
| 17 | Association of gene polymorphism with genetic susceptibility to stroke in Asian populations:a meta-analysis显示文摘 | Banerjee I Gupta V Ganesh S | 2007 | J Human Genetic2007，52，3： | 1 |
| 18 | EXE: automatically gen- erating inputs of death 显示文摘 | Cadar C Ganesh V Pawlowski P M | 2008 | ACM Transactions on Information and Systems Security2008，12，2： | 1 |
| 19 | Effect of microarc oxidised layer thickness on plain fatigue and fretting fatigue behaviour of Al-Mg-Si alloy显示文摘 | Rajasekaran B Ganesh Sundara Raman S Joshi S V | 2008 | International Journal of Fatigue2008，30，7： | 1 |
| 20 | A review on self- e]eaning coatings显示文摘 | Anand Ganesh V Raut H K Naira A S | 2011 | Journal of Materials Chemistry2011，21，16： | 1 |
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