E-LIB Suche - Ergebnisse für: Xu, Qimen

1

SPARC v2.0.0: Spin-orbit coupling, dispersion interactions,..:

Zhang, Boqin ; Jing, Xin ; Xu, Qimen...
Software Impacts. 20 (2024) - p. 100649 , 2024

Link: https://doi.org/10.1016/..

2

Cover Feature: Self‐Consistent Convolutional Density Functi..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem. 25 (2024) 10 - p. , 2024

Link: https://doi.org/10.1002/..

3

Self‐Consistent Convolutional Density Functional Approximat..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem. 25 (2024) 10 - p. , 2024

Link: https://doi.org/10.1002/..

4

Real-space density kernel method for Kohn–Sham density func..:

Xu, Qimen ; Jing, Xin ; Zhang, Boqin..
The Journal of Chemical Physics. 156 (2022) 9 - p. , 2022

Link: https://doi.org/10.1063/..

5

SPARC: Simulation Package for Ab-initio Real-space Calculat..:

Xu, Qimen ; Sharma, Abhiraj ; Comer, Benjamin...
SoftwareX. 15 (2021) - p. 100709 , 2021

Link: https://doi.org/10.1016/..

6

Implementation of Perdew–Zunger self-interaction correction..:

Diaz, Carlos M. ; Suryanarayana, Phanish ; Xu, Qimen...
The Journal of Chemical Physics. 154 (2021) 8 - p. , 2021

Link: https://doi.org/10.1063/..

7

On preconditioning the self-consistent field iteration in r..:

Kumar, Shashikant ; Xu, Qimen ; Suryanarayana, Phanish
Chemical Physics Letters. 739 (2020) - p. 136983 , 2020

Link: https://doi.org/10.1016/..

8

M-SPARC: Matlab-Simulation Package for Ab-initio Real-space..:

Xu, Qimen ; Sharma, Abhiraj ; Suryanarayana, Phanish
SoftwareX. 11 (2020) - p. 100423 , 2020

Link: https://doi.org/10.1016/..

9

Discrete discontinuous basis projection method for large-sc..:

Xu, Qimen ; Suryanarayana, Phanish ; Pask, John E.
The Journal of Chemical Physics. 149 (2018) 9 - p. 094104 , 2018

Link: https://doi.org/10.1063/..

10

Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Re..:

Zhang, Boqin ; Jing, Xin ; Xu, Qimen...
http://arxiv.org/abs/2305.07679. , 2023

Link: http://arxiv.org/abs/230..

11

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
info:eu-repo/semantics/altIdentifier/wos/WOS:001043836900001. , 2023

Link: https://hdl.handle.net/1..

12

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
boreal:284101. , 2023

Link: http://hdl.handle.net/20..

13

Self-consistent convolutional density functional approximat..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
http://arxiv.org/abs/2308.05310. , 2023

Link: http://arxiv.org/abs/230..

14

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
boreal:284101. , 2023

Link: http://hdl.handle.net/20..

15

Roadmap on Electronic Structure Codes in the Exascale Era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
http://arxiv.org/abs/2209.12747. , 2022

Link: http://arxiv.org/abs/220..