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K

Kushantha P. K. Withanage

university of texas system

10H指数
39论文数
299被引数
收录论文 14
发表时间
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Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons通过手性分子-磁性六边形恢复对称性和增强交换
errJournal of Physical Chemistry A
IF2.8
err2026-02-01
err0
errOAAI
errPederson, Mark R.; Hooshmand, Zahra; Zhang, Difan; Islam, M. F.; Withanage, Kushantha P. K.
err分享
err收藏
Electronic structure simulations in the cloud computing environment云计算环境下的电子结构模拟
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-21
err1
errOAAI
errBylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol
err分享
err收藏
Noncollinear first-principles studies of the spin-electric coupling in frustrated triangular molecular magnets
errPHYSICAL REVIEW B
IF3.7
err2024-06-04
err1
errOAAI
errIslam, M. F.; Withanage, Kushantha P. K.; Canali, C. M.; Pederson, Mark R.
err分享
err收藏
Symmetry breaking and self-interaction correction in the chromium atom and dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-08
err6
errOAAI
errManiar, Rohan; Withanage, Kushantha P. K.; Shahi, Chandra; Kaplan, Aaron D.; Perdew, John P.; Pederson, Mark R.
err分享
err收藏
Use of FLOSIC for understanding anion-solvent interactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-20
err6
errOAAI
errPederson, Mark R.; Withanage, Kushantha P. K.; Hooshmand, Zahra; Johnson, Alex I.; Baruah, Tunna; Yamamoto, Yoh; Zope, Rajendra R.; Kao, Der-You; Shukla, Priyanka B.; Johnson, J. Karl; Peralta, Juan E.; Jackson, Koblar A.
err分享
err收藏
Downward quantum learning from element 118: Automated generation of Fermi-Lowdin orbitals for all atoms
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-22
err6
errOAAI
errPederson, Mark R.; Johnson, Alexander I.; Withanage, Kushantha P. K.; Dolma, Sherab; Flores, Gustavo Bravo; Hooshmand, Zahra; Khandal, Kusal; Lasode, Peter O.; Baruah, Tunna; Jackson, Koblar A.
err分享
err收藏
Complex Fermi-Lowdin orbital self-interaction correction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-17
err6
errOAAI
errWithanage, Kushantha P. K.; Jackson, Koblar A.; Pederson, Mark R.
err分享
err收藏
Fermi-Lowdin orbital self-interaction correction of adsorption energies on transition metal ions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-01
err3
errOAAI
errWithanage, Kushantha P. K.; Sharkas, Kamal; Johnson, J. Karl; Perdew, John P.; Peralta, Juan E.; Jackson, Koblar A.
err分享
err收藏
Density-related properties from self-interaction corrected density functional theory calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-08
err12
errOAAI
errWithanage, Kushantha P. K.; Bhattarai, Puskar; Peralta, Juan E.; Zope, Rajendra R.; Baruah, Tunna; Perdew, John P.; Jackson, Koblar A.
err分享
err收藏
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-04
err38
errOAAI
errJohnson, Alexander I.; Withanage, Kushantha P. K.; Sharkas, Kamal; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Peralta, Juan E.; Jackson, Koblar A.
err分享
err收藏
Analytic atomic gradients in the fermi-lowdin orbital self-interaction correction
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-12-27
err22
PREAI
errTrepte, Kai; Schwalbe, Sebastian; Hahn, Torsten; Kortus, Jens; Kao, Der-You; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Withanage, Kushantha P. K.; Peralta, Juan E.; Jackson, Koblar A.
err分享
err收藏
Fermi-Lowdin orbital self-interaction correction to magnetic exchange couplings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-22
err40
errOAAI
errJoshi, Rajendra P.; Trepte, Kai; Withanage, Kushantha P. K.; Sharkas, Kamal; Yamamoto, Yoh; Basurto, Luis; Zope, Rajendra R.; Baruah, Tunna; Jackson, Koblar A.; Peralta, Juan E.
err分享
err收藏
On the Question of the Total Energy in the Fermi-Lowdin Orbital Self-Interaction Correction Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-09
err26
errOAAI
errWithanage, Kushantha P. K.; Trepte, Kai; Peralta, Juan E.; Baruah, Tunna; Zope, Rajendra; Jackson, Koblar A.
err分享
err收藏
Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Lowdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-10-24
err48
errOAAI
errKao, Der-you; Withanage, Kushantha; Hahn, Torsten; Batool, Javaria; Kortus, Jens; Jackson, Koblar
err分享
err收藏

研究方向

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合作学者
合作期刊
J
John P. Perdew
H 指数: 113 · 论文数: 553
J
J. J. Rehr
H 指数: 73 · 论文数: 581
J
J. Karl Johnson
H 指数: 69 · 论文数: 265
S
Sotiris S. Xantheas
H 指数: 68 · 论文数: 295
K
Karol Kowalski
H 指数: 53 · 论文数: 329
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