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9篇 您的检索式：作者名="Behler J"

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		题名	作者	年代	出处	被引量
	1	Adsorption of methanethiolate and atomic sulfur at the Cu(111)surface:A computational study显示文摘	Seema P Behler J Marx D	2013	J Phys Chem C2013，117，：	1
	2	Retinol,a-tocopherol and proximate nutrient composition of invertebrates used as feed显示文摘	Pennino M Dierenfeld E S Behler J L	1991	Int Zoo Yearbk1991，30，：	1
	3	Macrophage-inducible C- type lectin Mincle expressing dendritic cells contribute to con- trol splenic Mycobacterium bovis BCG infection in mice显示文摘	Behler F Maus R Bohling J	2015	In- fect Immun2015，83，1：	1
	4	Retinol,α-tocopherol and proximate nutrient composition of invertebrates used as feed显示文摘	Pennino M Dierenfeld E S Behler J L	1991	Int Zoo Yearb1991，30，：	1
	5	Laser beam weld- ing of low weight materials and structures 显示文摘	Behler K Berkmanns J Ehrhardt A et a/	1997	Materials & Design1997，18，46：	1
	6	Retinol,α-tocopherol and proximate nutrient composition of invertebrates used as feed显示文摘	Pennino M Dierenfeld E S Behler J L	1991	Int Zoo Yearbk1991，30，：	1
	7	Laser beam welding of low weight materials and structures显示文摘	K Behler J Berkmanns A Ehrhardt	1997	Materaials & Design1997，18，46：	1
	8	Laser beam welding of low weight materials and structures显示文摘	Berkmanns J Ehrhardt A	1997	Materials & Design1997，18，46：	1
	9	High-dimensional neural network potentials for magnetic systems using spin-dependent atom-centered symmetry functions显示文摘Machine learning potentials have emerged as a powerful tool to extend the time and length scales of first-principles quality simulations.Still,most machine learning potentials cannot distinguish different electronic spin arrangements and thus are not applicable to materials in different magnetic states.Here we propose spin-dependent atom-centered symmetry functions as a type of descriptor taking the atomic spin degrees of freedom into account.When used as an input for a high-dimensional neural network potential(HDNNP),accurate potential energy surfaces of multicomponent systems can be constructed,describing multiple collinear magnetic states.We demonstrate the performance of these magnetic HDNNPs for the case of manganese oxide,MnO.The method predicts the magnetically distorted rhombohedral structure in excellent agreement with density functional theory and experiment.Its efficiency allows to determine the Néel temperature considering structural fluctuations,entropic effects,and defects.The method is general and is expected to be useful also for other types of systems such as oligonuclear transition metal complexes.	Marco Eckhoff Jörg Behler	2021	npj Computational Materials2021，，1：	0

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