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nanodcal基础和近期进展.
Basics and recent progresses of Nanodcal
Lei Liu (刘磊)
( )
Project manager of nanodcal software
2016/8/8 1 2016, 湘潭
Acknowledgements
Prof. Hong Guo: President and CEO of NanoAcademic Technologies and
Chairman of the board of HZWTech, inventor of NEGF-DFT
Prof. Jian Wang: Professor of HKU, inventor of NEGF-DFT
Dr. Yu Zhu: Senier scientist in NanoAcademic Technologies, Project manager
of Nanodsim software
Dr. Yibin Hu: Professor of IOTP, Technical and Scientific Consultant
Dr. Yin Wang: RAP of HKU, Application of nanodcal
HZW Tech Group: Mr. Yuan Mingxing, Mr. Chen Jianghui, Dr. Zhai Mingxing,
Dr. Chen Jiangchai, Dr. Gong Kui, etc.
2016/8/8 2 2016, 湘潭
Outline
Introduction and basic functions of nanodcal software
Development of Device Studio: a nanodcal GUI
Some recent applications of Nanodcal
2016/8/8 3 2016, 湘潭
Nanodcal: Introduction
Nanodcal is an LCAO implementation of NEGF-DFT:
density functional theory (DFT) within the Keldysh
nonequilibrium Green’s function formalism (NEGF).
It is a general purpose tool for ab initio modeling of
nonlinear and non-equilibrium quantum transport.
2016/8/8 4 2016, 湘潭
Nanodcal: theory
NEGF-DFT:
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63 , 245407 (2001); 63 , 121104 (2001).
Electronic Structure
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