QX
Qimen Xu
physics.comp-phcond-mat.mtrl-sciphysics.chem-phcs.CEcs.DCDensity Functional TheoryExchange-correlationGeneralized gradient approximationMultipole expansion
On Valency
published · living versionsW_82pjkcs4·v1 · currentpublished
Extreme-Scale Linear-Scaling Kohn-Sham DFT at 100 Million Atoms: Bridging Quantum Simulations and Experiments
with Yu Zhang, Dixing Ni, Lei Gao, Guangnan Feng +9
1 version
Preprints & journals
9 papers in the corpus · 2018–2026Extreme-Scale Linear-Scaling Kohn-Sham DFT at 100 Million Atoms: Bridging Quantum Simulations and Experiments2609.13115v1 · Qimen Xu, Yu Zhang, Dixing Ni et al.2026 · 0 citationsarXivon Valency
Self-Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces.38421371 · Sahoo, Sushree Jagriti, Xu, Qimen, Lei, Xiangyun et al.2024 · 9 citationsChemphyschem : a European journal of chemical physics and physical chemistry. 2024;25(10):e202300688
Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations2305.07679v2 · Boqin Zhang, Xin Jing, Qimen Xu et al.2023 · 0 citationsarXiv
Roadmap on Electronic Structure Codes in the Exascale Era2209.12747v1 · Vikram Gavini, Stefano Baroni, Volker Blum et al.2022 · 80 citationsModell. Simul. Mater. Sci. Eng. 31, 063301 (2023)
Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperature.35259887 · Xu, Qimen, Jing, Xin, Zhang, Boqin et al.2022 · 6 citationsThe Journal of chemical physics. 2022;156(9):094105
SPARC: Simulation Package for Ab-initio Real-space Calculations2005.10431v1 · Qimen Xu, Abhiraj Sharma, Benjamin Comer et al.2020 · 74 citationsarXiv
M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations1912.08903v1 · Qimen Xu, Abhiraj Sharma, Phanish Suryanarayana2019 · 34 citationsarXiv
On preconditioning the self-consistent field iteration in real-space Density Functional Theory1910.07071v2 · Shashikant Kumar, Qimen Xu, Phanish Suryanarayana2019 · 17 citationsarXiv
Discrete discontinuous basis projection method for large-scale electronic structure calculations.30195317 · Xu, Qimen, Suryanarayana, Phanish, Pask, John E2018 · 80 citationsThe Journal of chemical physics. 2018;149(9):094104
Career total: 18 works. 9 are in this corpus.
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