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| 1 | Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures显示文摘Autonomous materials discovery with desired properties is one of the ultimate goals for materials science,and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and forward modeling of physical properties using machine learning.Applying the deep learning techniques,we have developed a generative model,which can predict distinct stable crystal structures by optimizing the formation energy in the latent space.It is demonstrated that the optimization of physical properties can be integrated into the generative model as on-top screening or backward propagator,both with their own advantages.Applying the generative models on the binary Bi-Se system reveals that distinct crystal structures can be obtained covering the whole composition range,and the phases on the convex hull can be reproduced after the generated structures are fully relaxed to the equilibrium.The method can be extended to multicomponent systems for multi-objective optimization,which paves the way to achieve the inverse design of materials with optimal properties. | Teng Long Nuno M.Fortunato Ingo Opahle Yixuan Zhang Ilias Samathrakis Chen Shen Oliver Gutfleisch Hongbin Zhang | 2021 | npj Computational Materials2021，，1： | 4 |
| 2 | Hydrogen storage in magnesium-based hydrides and hydride composites显示文摘 | M. Dornheim S. Doppiu G. Barkhordarian U. Boesenberg T. Klassen O. Gutfleisch R. Bormann | 2007 | Scripta Materialia2007，，10： | 3 |
| 3 | Evolution of magnetic domain structures and coercivity in high-performance SmCo 2:17-type permanent magnets显示文摘 | Gutfleisch O Müller K H Khlopkov K | 2006 | Acta Materialia2006，54，4： | 1 |
| 4 | Influence of M= Al,Ga and Si on microstructure and HDDR-processing of Sm2(Fe,M)17 and magnetic properties of their nitrides and carbides显示文摘 | Kubis M Gutfleisch D Gebel B | 1999 | J Alloys Comp1999，，283： | 1 |
| 5 | Increased expression of CD25 and adhesion molecules on peripheral blood lymphocytes of patients with Wegener' s granulomasis (WG) and ANCA positive vasculitides显示文摘 | Gutfleisch J Baumert E Wolff VG | 1993 | Adv Exp Med Biol1993，336，： | 1 |
| 6 | J Alloy Compd显示文摘 | Gutfleisch O | 1994 | 204:211994，204，： | 1 |
| 7 | Constraint-dependent twin variant distribution in Ni 2 MnGa single crystal, polycrystals and thin film: An EBSD study显示文摘 | N. Scheerbaum Y.W. Lai T. Leisegang M. Thomas J. Liu K. Khlopkov J. McCord S. F?hler R. Tr?ger D.C. Meyer L. Schultz O. Gutfleisch | 2010 | Acta Materialia2010，，14： | 1 |
| 8 | Highly coercive milled and melt-spun(Pr,Nd)FeB-type magnets and their hot workability显示文摘 | Bollero A Kirchner A Gutfleisch O | 2001 | IEEE Trans Magn2001，37，4： | 1 |
| 9 | 显示文摘 | Lyubina J Gutfleisch O Skomski R | 2005 | Scripta Mater2005，53，： | 1 |
| 10 | 显示文摘 | Lyubina J Gutfleisch O Muller K H | 2005 | J Magn Magn Mater2005，，： | 1 |
| 11 | Memory of Texture During HDDR Processing of NdFeB显示文摘 | Gutfleisch O Khlopkov K | 2003 | IEEE Trans Magn2003，39，5： | 1 |
| 12 | Magnetic materials and devices for the 21st century: stronger, lighter, and more energy efficient 显示文摘 | GUTFLEISCH O WILLARD M A BROCK E | 2011 | Advanced Materials2011，23，7： | 1 |
| 13 | Hydrogen storage in magnesium-based hydrides and hydride composites 显示文摘 | DORNHEIM M DOPPIU S BARKHORDARIAN G BOESENBERG U KLASSEN T GUTFLEISCH O BORMANN R | 2007 | Scripta Materialia2007，56，： | 1 |
| 14 | Evolution of magnetic domain structures and coercivity in high- performance SmCo 2: 17-type permanent magnets 显示文摘 | Gutfleisch O Muller K H Khlopkov K | 2006 | Acta Materialia2006，54，3： | 1 |
| 15 | Radial optic neurotomy for ischemic central retinal vein occlusion显示文摘 | Lommatzsch A Heimes B Gutfleisch M | 2007 | Klin Monbl Augenheilkd2007，224，10： | 1 |
| 16 | 显示文摘 | Kirchner A Thomas J Gutfleisch O | 2004 | J Alloys and Compounds2004，365，： | 1 |
| 17 | Measurement and simulation of PD in epoxy voids显示文摘 | Gutfleisch F Niemeyer L | 1995 | IEEE Transactions on Dielectrics and Electrical Insulation1995，2，： | 1 |
| 18 | HDDR process in Nd16Fe76-xZrxB8 alloys and the production of anisotropic magnets显示文摘 | Short C L Guegan P Gutfleisch O | 1996 | IEEE Transactions of Magnetics1996，32，： | 1 |
| 19 | Measurement and simu- lation of PD in epoxy voids显示文摘 | GUTFLEISCH F NIEMEYER L | 1995 | IEEE Transactions on Di- electrics and Electrical Insulation1995，2，5： | 1 |
| 20 | 显示文摘 | Bollero A Kirchner A Gutfleisch O | 2001 | IEEE Trans Magn2001，37，4： | 1 |
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