Person

Dr. Yi Yao

Member since 08/2022
Email: yao@fhi-berlin.mpg.de

RESEARCH TOPICS

Development of AI methods and workflows for exascale computers

METHODS

Working on symbolic regression method within the SISSO++ code. To leverage the diverse exascale computer architectures, planing to write the performance-critical part of the code in performance portable programming model Kokkos. 

2023

Articles

1. H. Lu, G. Koknat, Y. Yao, J. Hao, X. Qin, C. Xiao, R. Song, F. Merz, M. Rampp, S. Kokott, C. Carbogno, T. Li, G. Teeter, M. Scheffler, J. J. Berry, D. B. Mitzi, J. L. Blackburn, V. Blum, and M. C. Beard,
   Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perovskite by Bi and Sn.
   PRX Energy 2, 023010 (2023)
   Download: pdf

2021

Articles

1. X. Ren, F. Merz, H. Jiang, Y. Yao, M. Rampp, H. Lederer, V. Blum, and M. Scheffler,
   All-electron periodic G(0)W(0) implementation with numerical atomic orbital basis functions: Algorithm and benchmarks.
   Phys. Rev. Materials 5, 013807 ( 2021); https://doi.org/10.1103/PhysRevMaterials.5.013807
   Download: pdf

2020

Articles

1. X. Ren, F. Merz, H. Jiang, Y. Yao, M. Rampp, H. Lederer, V. Blum, and M. Scheffler,
   All-electron periodic G₀W₀ implementation with numerical atomic orbital basis functions: algorithm and benchmarks. Phys. Rev. Materials 5, 013807 (2021); https://doi.org/10.1103/PhysRevMaterials.5.013807
   Reprint download: pdf

Within the publication lists the label [abs,src,ps] links to abstract, source file, and postscript version of the respective paper on the e-print archives of xxx.lanl.gov. Source and postscript files are usually transfered as gz-compressed tar-files. If your browser cannot automatically unpack those files you should proceed as follows:

Save the file as paper.tar.gz Execute the following commands (on a UNIX machine): gunzip paper.tar.gz tar -xvf paper.tar

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