未登录Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages声子奥林匹克:基于开源软件的声子属性与晶格热导率基准测试
Mcgaughey, Alan J. H.; Lindsay, Lucas; Bao, Hua; Hamakawa, Tomu; Juneja, Rinkle; Li, Shouhang; Li, Wu; Masuki, Ryota; Meng, Fanchen; Meng, Han; Pandey, Tribhuwan; Shao, Cheng; Shiomi, Junichiro; Tadano, Terumasa; Togo, Atsushi; Wang, Ao; Zhang, Xinyu
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收藏Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
Meng, Fanchen; Maurer, Benedikt; Peschel, Fabian; Selcuk, Sencer; Hybertsen, Mark; Qu, Xiaohui; Vorwerk, Christian; Draxl, Claudia; Vinson, John; Lu, Deyu
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收藏Harnessing Neural Networks for Elucidating X-ray Absorption Structure-Spectrum Relationships in Amorphous Carbon
Kwon, Hyuna; Sun, Wenyu; Hsu, Tim; Jeong, Wonseok; Aydin, Fikret; Sharma, Shubham; Meng, Fanchen; Carbone, Matthew R.; Chen, Xiao; Lu, Deyu; Wan, Liwen F.; Nielsen, Michael H.; Pham, Tuan Anh
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收藏Uncertainty-aware predictions of molecular x-ray absorption spectra using neural network ensembles
Ghose, Animesh; Segal, Mikhail; Meng, Fanchen; Liang, Zhu; Hybertsen, Mark S.; Qu, Xiaohui; Stavitski, Eli; Yoo, Shinjae; Lu, Deyu; Carbone, Matthew R.
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