Universal Magnetic Structure Prediction from Atomic Coordinates with Near-Experimental Accuracy
从原子坐标预测通用磁结构并实现接近实验精度
机构 * Quantum Measurement Group, MIT, Cambridge, MA 02139, USA(麻省理工学院量子测量组) ; Department of Electrical Engineering and Computer Science, MIT, Cambridge, MA 02139, USA(麻省理工学院电气工程与计算机科学系) ; Department of Chemistry, MIT, Cambridge, MA 02139, USA(麻省理工学院化学系) ; Department of Nuclear Science and Engineering, MIT, Cambridge, MA 02139, USA(麻省理工学院核科学与工程系) ; Department of Physics, MIT, Cambridge, MA 02139, USA(麻省理工学院物理系) ; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA(橡树岭国家实验室中子散射组) ; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA(斯坦福直线加速器实验室)
AI总结 本文提出磁结构网络(MSN),通过原子晶体结构直接预测磁结构,利用原始调制结构表示(PMSR)统一编码调制结构,实现高精度磁结构预测,为磁性材料发现提供新方法。
Comments 9 pages, 3 figures