Ab-initio investigation of finite size effects in rutile titania nanoparticles with semilocal and nonlocal density functionals SJ Sahoo, X Jing, P Suryanarayana, AJ Medford The Journal of Physical Chemistry C 126 (4), 2121-2130, 2022 | 4 | 2022 |
Version 2.0. 0-M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations B Zhang, X Jing, S Kumar, P Suryanarayana SoftwareX 21, 101295, 2023 | 3 | 2023 |
Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature Q Xu, X Jing, B Zhang, JE Pask, P Suryanarayana The Journal of Chemical Physics 156 (9), 2022 | 2 | 2022 |
Assessing the source of error in the Thomas–Fermi–von Weizsäcker density functional B Thapa, X Jing, JE Pask, P Suryanarayana, II Mazin The Journal of Chemical Physics 158 (21), 2023 | 1 | 2023 |
Assessing the source of error in local orbital-free density functionals B Thapa, X Jing, JE Pask, P Suryanarayana, II Mazin arXiv preprint arXiv:2302.05376, 2023 | 1 | 2023 |
Kohn-Sham accuracy from orbital-free density functional theory via -machine learning S Kumar, X Jing, JE Pask, AJ Medford, P Suryanarayana arXiv preprint arXiv:2310.06598, 2023 | | 2023 |
Accuracy of Kohn-Sham density functional theory for warm-and hot-dense matter equation of state P Suryanarayana, A Bhardwaj, X Jing, JE Pask arXiv preprint arXiv:2308.08132, 2023 | | 2023 |
Version 2.0. 0--SPARC: Simulation Package for Ab-initio Real-space Calculations B Zhang, X Jing, Q Xu, S Kumar, A Sharma, L Erlandson, SJ Sahoo, ... arXiv preprint arXiv:2305.07679, 2023 | | 2023 |
Ab-initio investigation of finite size effects in rutile titania nanoparticles with semilocal and nonlocal density functionals S Jagriti Sahoo, X Jing, P Suryanarayana, AJ Medford arXiv e-prints, arXiv: 2110.02257, 2021 | | 2021 |