[SY-E4] Symposium E-4

Tue. Oct 30, 2018 11:15 AM - 12:30 PM Room2

Chairs: Haifeng Song(Institute of Applied Physics and Computational Mathematics, China), Chenghua Sun(Swinburne University of Technology, Australia)

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[SY-E4] High-performance first-principles calculation software development with applications to the zirconium

^○Haifeng Song^1,2, Xingyu Gao^1,2, Jun Fang^1,2, Yafan Zhao², Han Wang², Deye Lin² (1.Institute of Applied Physics and Computational Mathematics, China, 2.CAEP Software Center for High Performance Numerical Simulation, China)

[SY-E4] Catalyst design for ammonia synthesis of ammonia

^○Chenghua Sun (Swinburne University of Technology, Australia)

[SY-E4] A solid-solution structure model for multi-component alloys

^○Xingyu Gao^1,2, Fuyang Tian³, Yafan Zhao², Deye Lin², Haifeng Song^1,2 (1.Institute of Applied Physics and Computational Mathematics, China, 2.CAEP Software Center for High Performance Numerical Simulation, China, 3.University of Science and Technology, China)

[SY-E4] First-princples prediction of plastic deformation modes in alloys

^○Song Lu, Levente Vitos (KTH Royal Institute of Technology, Sweden)

[SY-E4] The local-orbital construction of strongly correlated electrons based on the PAW method

^○Yu Liu^1,2, Xingyu Gao^1,2, Jianzhou Zhao³, Haifeng Song^1,2 (1.Institute of Applied Physics and Computational Mathematics, China, 2.CAEP Software Center for High Performance Numerical Simulation, China, 3.Southwest University of Science and Technology, China)

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