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Shenzhen Jl Computational Science & Application Research Institute

Scholars48
Papers57
Citations0
Related Papers (57)
Publication Date
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An Iterative Correction of Wavefunction Using a Residual Vector for Efficient Calculations of Ab Initio Energy
errINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
IF2
err2025-11-02
err0
errOAAI
errHu, Linping; Sarwono, Yanoar P.; He, Fang; Ding, Yonglong; Hanna, Muhammad Yusrul; Zhang, Rui-qin
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Exciton-dominated long carrier relaxation in photoexcited monolayer Cu2Se on Cu(111)
errPHYSICAL REVIEW B
IF3.7
err2025-02-24
err1
PREAI
errWang, Xinyue; Liu, Qi; Bandyopadhyay, Arkamita; Lu, Jiahua; Yan, Yu; Li, Yao; Zhang, Yilin; Yan, Pengfei; Xu, Yongkang; He, Liang; Wu, Jing; Frauenheim, Thomas; Zhang, Rong; Xu, Yongbing; Lu, Xianyang
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An improved DIIS method using a versatile residual matrix to accelerate SCF starting from a crude guess
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-07-09
err2
PREAI
errHu, Linping; Sarwono, Yanoar Pribadi; Ding, Yonglong; He, Fang; Zhang, Rui-Qin
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Strong spin-lattice coupling and high-temperature magnetic ordering in monolayer chromium dichalcogenides
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-06-13
err1
PREAI
errGonzalez-Garcia, A.; Bacaksiz, C.; Frauenheim, T.; Milosevic, M. V.
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Intrinsic high-temperature ferroelectricity, superferroelasticity, and deep-ultraviolet nonlinear optical response of GaOCl monolayer
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-05-21
err0
PREAI
errTu, Zhenyuan; Wang, Yunhua; Liao, Weitu; Hu, Tao; Yuan, Shengjun
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Hybrid Double Atom Catalysts for Hydrogen Evolution Reaction: A Sweet Marriage of Metal and Nonmetal
errADVANCED ENERGY MATERIALS
IF26
err2023-11-27
err15
errOAAI
errZhang, Lihong; Guo, Xiangyu; Zhang, Shengli; Frauenheim, Thomas; Huang, Shiping
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Boosting the photoelectrochemical performance of bismuth vanadate photoanode through homojunction construction
errJOURNAL OF COLLOID AND INTERFACE SCIENCE
IF9.7
err2023-09-01
err13
PREAI
errWang, Haipeng; Wang, Shuyun; Oo, May Thawda; Yang, Yuewen; Zhou, Jiasheng; Huang, Miaoyan; Zhang, Rui-Qin
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Ultrafast Laser Control of Antiferromagnetic-Ferrimagnetic Switching in Two-Dimensional Ferromagnetic Semiconductor Heterostructures
errNANO LETTERS
IF9.1
err2023-06-12
err18
PREAI
errZhou, Zhaobo; Zheng, Zhenfa; He, Junjie; Wang, Jinlan; Prezhdo, Oleg V.; Frauenheim, Thomas
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Moire magnetic exchange interactions in twisted magnets
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-04-26
err15
errOAAI
errYang, Baishun; Li, Yang; Xiang, Hongjun; Lin, Haiqing; Huang, Bing
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Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics
errADVANCED SCIENCE
IF14.1
err2023-01-22
err14
errOAAI
errTong, Zhen; Zhang, Yatian; Pecchia, Alessandro; Yam, ChiYung; Zhou, Liujiang; Dumitrica, Traian; Frauenheim, Thomas
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Molecular dynamics study of plasmon-mediated chemical transformations
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err8
errOAAI
errWu, Xiaoyan; van der Heide, Tammo; Wen, Shizheng; Frauenheim, Thomas; Tretiak, Sergei; Yam, ChiYung; Zhang, Yu
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Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-01
err7
errOAAI
errWu, Xiaoyan; Liu, Baopi; Frauenheim, Thomas; Tretiak, Sergei; Yam, ChiYung; Zhang, Yu
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Control of Hot Carrier Cooling in Lead Halide Perovskites by Point Defects
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-09-20
err28
PREAI
errZhou, Zhaobo; He, Junjie; Frauenheim, Thomas; Prezhdo, Oleg V.; Wang, Jinlan
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errSave
Heterogeneous-Interface-Enhanced Adsorption of Organic and Hydroxyl for Biomass Electrooxidation
errADVANCED MATERIALS
IF26.8
err2022-09-18
err189
PREAI
errZhou, Peng; Lv, Xingshuai; Tao, Shasha; Wu, Jingcheng; Wang, Hongfang; Wei, Xiaoxiao; Wang, Tehua; Zhou, Bo; Lu, Yuxuan; Frauenheim, Thomas; Fu, Xianzhu; Wang, Shuangyin; Zou, Yuqin
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Carrier Multiplication in Transition Metal Dichalcogenides Beyond Threshold Limit
errADVANCED SCIENCE
IF14.1
err2022-09-07
err3
errOAAI
errLiu, Yuxiang; Frauenheim, Thomas; Yam, ChiYung
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WS2-Flake-Sandwiched, Au-Nanodisk-Enabled High-Quality Fabry-Perot Nanoresonators for Photoluminescence Modulation
errACS NANO
IF16
err2022-08-29
err10
PREAI
errHuang, He; Wang, Hao; Li, Shasha; Jiang, Jingyao; Liu, Yi; Cai, Mingyang; Shao, Lei; Chen, Huanjun; Wang, Jianfang
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First-Principles Nonequilibrium Green's Function Approach to Energy Conversion in Nanoscale Optoelectronics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-25
err2
PREAI
errWu, Xiaoyan; Wang, Rulin; Zou, Hao; Song, Bowen; Wen, Shizheng; Frauenheim, Thomas; Yam, ChiYung
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Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-24
err8
errOAAI
errWu, Xiaoyan; Wen, Shizheng; Song, Huajing; Frauenheim, Thomas; Tretiak, Sergei; Yam, ChiYung; Zhang, Yu
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errSave
Effect of diffusion on acoustic deformation potential characterization through coherent acoustic phonon dynamics
errPHYSICAL REVIEW B
IF3.7
err2022-08-24
err9
PREAI
errLi, Long; He, Feng; Zhao, Xu; Tong, Zhen; Guo, Liang
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errSave
Generation and Detection of Strain-Localized Excitons in WS2 Monolayer by Plasmonic Metal Nanocrystals
errACS NANO
IF16
err2022-07-11
err16
PREAI
errLi, Shasha; Chui, Ka Kit; Shen, Fuhuan; Huang, He; Wen, Shizheng; Yam, ChiYung; Shao, Lei; Xu, Jianbin; Wang, Jianfang
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errSave