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Xuecheng Shao

rutgers university new brunswick

19H指数
79论文数
1.0K被引数
收录论文 32
发表时间
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Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds在SCF收敛阈值下学习单电子简化密度矩阵
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errRana, Bhaskar; Viot, Nicolas; Martinez, B. Jessica A.; Shao, Xuecheng; Ramos, Pablo; Pavanello, Michele
err分享
err收藏
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems密度泛函化QM/MM方法为溶剂化系统提供了化学精度
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-15
err0
errOAAI
errXin Chen; Jessica A. Martinez B; Xuecheng Shao; Marc Riera Riambau; Oliviero Andreussi; Francesco Paesani; Michele Pavanello
err分享
err收藏
Effective Wang-Teter kernels for improved orbital-free density functional theory simulations
errPHYSICAL REVIEW B
IF3.7
err2024-08-12
err0
PREAI
errRios-Vargas, Valeria; Shao, Xuecheng; Trickey, S. B.; Pavanello, Michele
err分享
err收藏
Imposing correct jellium response is key to predict the density response by orbital-free DFT
errPHYSICAL REVIEW B
IF3.7
err2023-12-22
err9
errOAAI
errMoldabekov, Zhandos A.; Shao, Xuecheng; Pavanello, Michele; Vorberger, Jan; Graziani, Frank; Dornheim, Tobias
err分享
err收藏
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-22
err11
errOAAI
errMoldabekov, Zhandos; Schwalbe, Sebastian; Boehme, Maximilian P.; Vorberger, Jan; Shao, Xuecheng; Pavanello, Michele; Graziani, Frank R.; Dornheim, Tobias
err分享
err收藏
Entropy is a good approximation to the electronic (static) correlation energy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-15
err6
errOAAI
errMartinez, B. Jessica A.; Shao, Xuecheng; Jiang, Kaili; Pavanello, Michele
err分享
err收藏
Machine learning electronic structure methods based on the one-electron reduced density matrix
errNATURE COMMUNICATIONS
IF15.7
err2023-10-07
err15
errOAAI
errShao, Xuecheng; Paetow, Lukas; Tuckerman, Mark E.; Pavanello, Michele
err分享
err收藏
Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory
errPHYSICAL REVIEW RESEARCH
IF4.2
err2022-10-17
err16
errOAAI
errFiedler, Lenz; Moldabekov, Zhandos A.; Shao, Xuecheng; Jiang, Kaili; Dornheim, Tobias; Pavanello, Michele; Cangi, Attila
err分享
err收藏
Efficient time-dependent orbital-free density functional theory: Semilocal adiabatic response
errPHYSICAL REVIEW B
IF3.7
err2022-09-30
err9
errOAAI
errJiang, Kaili; Shao, Xuecheng; Pavanello, Michele
err分享
err收藏
Adaptive Subsystem Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-30
err5
PREAI
errShao, Xuecheng; Lopez, Andres Cifuentes; Musa, Md Rajib Khan; Nouri, Mohammad Reza; Pavanello, Michele
err分享
err收藏
A symmetry-orientated divide-and-conquer method for crystal structure prediction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-03
err90
errOAAI
errShao, Xuecheng; Lv, Jian; Liu, Peng; Shao, Sen; Gao, Pengyue; Liu, Hanyu; Wang, Yanchao; Ma, Yanming
err分享
err收藏
Stability and mechanical properties of W1-xMoxB4.2 (x=0.0-1.0) from first principles
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-12-20
err3
PREAI
errGong, Weiguang; Xu, Rui; Shao, Xuecheng; Li, Quan; Chen, Changfeng
err分享
err收藏
Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory随时间变化的无轨道密度泛函理论的非局部和非绝热Pauli势
errPHYSICAL REVIEW B
IF3.7
err2021-12-06
err10
errOAAI
errJiang, Kaili; Shao, Xuecheng; Pavanello, Michele
err分享
err收藏
eQE 2.0: Subsystem DFT beyond GGA functionals
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-12-01
err17
errOAAI
errMi, Wenhui; Shao, Xuecheng; Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele
err分享
err收藏
Inhibition of lncRNA-NEAT1 sensitizes 5-Fu resistant cervical cancer cells through de-repressing the microRNA-34a/LDHA axis
errBIOSCIENCE REPORTS
IF4.7
err2021-07-22
err35
errOAAI
errShao, Xuechen; Zheng, Xuehui; Ma, Dan; Liu, Yang; Liu, Guoyan
err分享
err收藏
Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces
errPHYSICAL REVIEW B
IF3.7
err2021-07-12
err22
PREAI
errShao, Xuecheng; Mi, Wenhui; Pavanello, Michele
err分享
err收藏
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-13
err12
errOAAI
errShao, Xuecheng; Mi, Wenhui; Pavanello, Michele
err分享
err收藏
Pressure-stabilized divalent ozonide CaO3 and its impact on Earth's oxygen cycles
errNATURE COMMUNICATIONS
IF15.7
err2020-09-17
err22
errOAAI
errWang, Yanchao; Xu, Meiling; Yang, Liuxiang; Yan, Bingmin; Qin, Qin; Shao, Xuecheng; Zhang, Yunwei; Huang, Dajian; Lin, Xiaohuan; Lv, Jian; Zhang, Dongzhou; Gou, Huiyang; Mao, Ho-kwang; Chen, Changfeng; Ma, Yanming
err分享
err收藏
Efficient potential-tuning strategy through p-type doping for designing cathodes with ultrahigh energy density通过p型掺杂设计具有超高能量密度的阴极的有效电势调节策略
errNATIONAL SCIENCE REVIEW
IF17.1
err2020-07-27
err51
errOAAI
errWang, Zhiqiang; Wang, Da; Zou, Zheyi; Song, Tao; Ni, Dixing; Li, Zhenzhu; Shao, Xuecheng; Yin, Wanjian; Wang, Yanchao; Luo, Wenwei; Wu, Musheng; Avdeev, Maxim; Xu, Bo; Shi, Siqi; Ouyang, Chuying; Chen, Liquan
err分享
err收藏
DFTpy: An efficient and object-oriented platform for orbital-freeDFTsimulations
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2020-06-19
err45
errOAAI
errShao, Xuecheng; Jiang, Kaili; Mi, Wenhui; Genova, Alessandro; Pavanello, Michele
err分享
err收藏

研究方向

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合作学者
合作期刊
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H 指数: 158 · 论文数: 999
Xin Wang 封面图
Xin Wang (Xin Wang)
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Z
Zhongfang Chen
H 指数: 102 · 论文数: 476
J
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H 指数: 93 · 论文数: 452
马
马琰铭 (Yanming Ma)
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