Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Puskar Bhattarai"'
Publikováno v:
Brain Informatics, Vol 10, Iss 1, Pp 1-14 (2023)
Abstract Mild cognitive impairment (MCI) is a transitional stage between normal aging and early Alzheimer’s disease (AD). The presence of extracellular amyloid-beta (Aβ) in Braak regions suggests a connection with cognitive dysfunction in MCI/AD.
Externí odkaz:
https://doaj.org/article/d3450c91505f45e9b32948a995e91295
Amyloid-beta (Aβ) and tau tangles are hallmarks of Alzheimer’s disease. Aβ distributions in the tau-defined Braak staging regions and their multivariate predictive relationships with mild cognitive impairment (MCI) are not known. In this study, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::17b720ce4c95b5057650e33b836513f0
https://doi.org/10.1101/2022.09.25.509432
https://doi.org/10.1101/2022.09.25.509432
Autor:
Kushantha Withanage, Tunna Baruah, John P. Perdew, Juan E. Peralta, Puskar Bhattarai, Koblar A. Jackson, Rajendra R. Zope
Publikováno v:
The Journal of chemical physics. 154(2)
The Perdew-Zunger self-interaction correction (PZ-SIC) removes unphysical electron self-interaction from calculations employing standard density functional approximations. Doing so improves many computed properties, bringing them into better agreemen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::062cd821b410bd7aa6f104230a9b2b6c
https://pubmed.ncbi.nlm.nih.gov/33445898
https://pubmed.ncbi.nlm.nih.gov/33445898
Autor:
Biswajit Santra, John P. Perdew, Mark R. Pederson, Kamal Wagle, Chandra Shahi, Puskar Bhattarai, Koblar A. Jackson
We study the importance of self-interaction errors in density functional approximations for various water-ion clusters. We have employed the Fermi-L\"owdin orbital self-interaction correction (FLOSIC) method in conjunction with LSDA, PBE, and SCAN to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::555512f24e2472f392f3853ffc2b9293
http://arxiv.org/abs/2012.13469
http://arxiv.org/abs/2012.13469
Autor:
Adrienn Ruzsinszky, Biswajit Santra, Shiqi Ruan, Santosh Adhikari, Niraj K. Nepal, Puskar Bhattarai, Koblar A. Jackson
Publikováno v:
The Journal of chemical physics. 153(18)
(Semi)-local density functional approximations (DFAs) suffer from self-interaction error (SIE). When the first ionization energy (IE) is computed as the negative of the highest-occupied orbital (HO) eigenvalue, DFAs notoriously underestimate them com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c5423a474e1a3b5c5784557c733a28a
https://pubmed.ncbi.nlm.nih.gov/33187443
https://pubmed.ncbi.nlm.nih.gov/33187443
Autor:
Biswajit Santra, Shah Tanvir ur Rahman Chowdhury, John P. Perdew, Kamal Wagle, Aaron D. Kaplan, Pradeep Bhetwal, Puskar Bhattarai, Kieron Burke, Hong Tang, Mel Levy, Jie Yu
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of approximations i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a05b15d69dd4ba7357ab0cbfcd725fc7
http://arxiv.org/abs/2007.01917
http://arxiv.org/abs/2007.01917
Publikováno v:
Physical Review B. 99
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6afe0ce2ce63dc9ff45c13b9908abe8a
https://doi.org/10.1103/physrevb.99.169901
https://doi.org/10.1103/physrevb.99.169901
Autor:
Koblar A. Jackson, Biswajit Santra, Rajendra R. Zope, Adrienn Ruzsinszky, John P. Perdew, Yoh Yamamoto, Puskar Bhattarai, Kamal Wagle
Publikováno v:
The Journal of Chemical Physics. 154:094105
The Perdew-Zunger self-interaction correction(PZ-SIC) improves the performance of density functional approximations(DFAs) for the properties that involve significant self-interaction error(SIE), as in stretched bond situations, but overcorrects for e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1f57d0d8aeaafdb131f490329594036
https://doi.org/10.1063/5.0041646
https://doi.org/10.1063/5.0041646
Autor:
Selim Romero, John P. Perdew, Rajendra R. Zope, Yoh Yamamoto, Puskar Bhattarai, Biswajit Santra, Koblar A. Jackson, Juan E. Peralta, Chandra Shahi, Kamal Wagle
Publikováno v:
The Journal of Chemical Physics. 152:214109
The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional. Unfortunately
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7839d913f223c47d45f0b277609bba60
https://doi.org/10.1063/5.0010375
https://doi.org/10.1063/5.0010375