Feng Long Gu

Publication Activity (10 Years)

Years Active: 1998-2020
Publications (10 Years): 4

Top Topics

Molecular Dynamics

Biologically Inspired

Wide Field Of View

Top Venues

J. Comput. Chem.

J. Comput. Methods Sci. Eng.

Publications

Linfeng Ye, Chao Xu, Feng Long Gu, Chaoyuan Zhu
Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization. J. Comput. Chem. 41 (7) (2020)
Juan Juan Tan, Feng Long Gu
Nonlinear optical properties of donor-acceptor dyads formed between phthalocyanine and fullerene. J. Comput. Methods Sci. Eng. 19 (2) (2019)
Yan Ying Liang, Bo Li, Xuan Xu, Feng Long Gu, Chaoyuan Zhu
A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1-3). J. Comput. Chem. 40 (9) (2019)
Lina Abdullah Alshahrani, Liqiong Miao, Yanyu Zhang, Shengming Cheng, Palanivel Sathishkumar, Balasubramaniam Saravanakumar, Junmin Nan, Feng Long Gu
3D-Flower-Like Copper Sulfide Nanoflake-Decorated Carbon Nanofragments-Modified Glassy Carbon Electrodes for Simultaneous Electrocatalytic Sensing of Co-existing Hydroquinone and Catechol. Sensors 19 (10) (2019)
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency. J. Comput. Chem. 31 (8) (2010)
Bing-Qiang Wang, Fang-Fang Wang, Fang Ma, Zhi-Ru Li, Di Wu, Hong-Liang Xu, Feng Long Gu
. J. Comput. Methods Sci. Eng. 10 (3-6) (2010)
Marcin Makowski, Feng Long Gu, Yuriko Aoki
Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis. J. Comput. Methods Sci. Eng. 10 (3-6) (2010)
Guang-Tao Yu, Wei Chen, Feng Long Gu, Yuriko Aoki
dimer, trimer and its polymer with diffuse excess electrons. J. Comput. Chem. 31 (4) (2010)
Yin-Feng Wang, Zhi-Ru Li, Di Wu, Chia-Chung Sun, Feng Long Gu
. J. Comput. Chem. 31 (1) (2010)
Hong-Liang Xu, Fang-Fang Wang, Zhi-Ru Li, Bing-Qiang Wang, Di Wu, Wei Chen, Guang-Tao Yu, Feng Long Gu, Yuriko Aoki
The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube. J. Comput. Chem. 30 (7) (2009)
Hyacinthe Nzigou Mamadou, Feng Long Gu, Vivien Oddou, Takeshi Nanri, Kazuaki J. Murakami
A Dynamic Solution for Efficient MPI Collective Communications. CSO (1) (2009)
Jacek Korchowiec, Jakub Lewandowski, Marcin Makowski, Feng Long Gu, Yuriko Aoki
Elongation cutoff technique armed with quantum fast multipole method for linear scaling. J. Comput. Chem. 30 (15) (2009)
Feng Long Gu, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet, Laurent Ducasse, Yuriko Aoki
Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals. J. Comput. Methods Sci. Eng. 6 (1-4) (2006)
Zhi-Ru Li, Fang-Fang Wang, Di Wu, Ying Li, Wei Chen, Xiao-Ying Sun, Feng Long Gu, Yuriko Aoki
Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity. J. Comput. Chem. 27 (8) (2006)
Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Elongation method for linear scaling SCF calculations of polymers. J. Comput. Methods Sci. Eng. 6 (1-4) (2006)
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. J. Comput. Chem. 27 (13) (2006)
Feng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer
Structure and stability of B+13 clusters. J. Comput. Chem. 19 (2) (1998)