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The Journal of Physical Chemistry. B|September 8, 2017
Cobalt Intercalated Layered NiFe Double Hydroxides for the Oxygen Evolution ReactionAkila C Thenuwara, Nuwan H Attanayake, Jie Yu, et al.The Journal of Chemical Physics|April 1, 2024
Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2Yubo Zhang, Da Ke, Junxiong Wu, et al.The Journal of Chemical Physics|February 16, 2021
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applicationsSebastian Ehlert, Uwe Huniar, Jinliang Ning, et al.The Journal of Chemical Physics|January 15, 2021
Density-related properties from self-interaction corrected density functional theory calculationsKushantha P K Withanage, Puskar Bhattarai, Juan E Peralta, et al.Journal of Thoracic Disease|September 15, 2025
Oncologic outcomes and predictors of recurrence following minimally invasive and open surgery for thymomaHannah O Davis, Brice S Wuthrich, Giorgos Bakoyannis, et al.The Journal of Chemical Physics|December 12, 2019
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correctionRajendra R Zope, Yoh Yamamoto, Carlos M Diaz, et al.Physical Review Letters|June 4, 2008
Restoring the density-gradient expansion for exchange in solids and surfacesJohn P Perdew, Adrienn Ruzsinszky, Gábor I Csonka, et al.The Journal of Physical Chemistry. B|September 17, 2021
Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network PotentialsChunyi Zhang, Fujie Tang, Mohan Chen, et al.Physical Review Letters|August 29, 2014
Density functionals that recognize covalent, metallic, and weak bondsJianwei Sun, Bing Xiao, Yuan Fang, et al.Proceedings of the National Academy of Sciences of the United States of America|May 13, 2020
Self-interaction error overbinds water clusters but cancels in structural energy differencesKamal Sharkas, Kamal Wagle, Biswajit Santra, et al.Pageof 12