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J

James W. Furness

Tulane University

20H-index
69Paper Count
2.6KCitation Count
Published Papers 26
Publication Date
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Toward Chemical Accuracy for Chemi- and Physisorption with an Efficient Density Functional
errJournal of Physical Chemistry C
IF3.2
err2026-02-01
err0
errOAAI
errKothakonda, Manish; Patra, Abhirup; Zhang, Ruiqi; Ning, Jinliang; Furness, James; Zhao, Qing; Sun, Jianwei
errShare
errSave
CSMILES: A Compact; Human-Readable SMILES Extension for Conformations
errJournal of Chemical Information and Modeling
IF5.3
err2025-09-26
err0
PREAI
errJames W. Furness; Kevin B. Moore III; Art Bochevarov
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errSave
Quantum chemical package Jaguar: A survey of recent developments and unique features
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err3
PREAI
errCao, Yixiang; Balduf, Ty; Beachy, Michael D.; Bennett, M. Chandler; Bochevarov, Art D.; Chien, Alan; Dub, Pavel A.; Dyall, Kenneth G.; Furness, James W.; Halls, Mathew D.; Hughes, Thomas F.; Jacobson, Leif D.; Kwak, H. Shaun; Levine, Daniel S.; Mainz, Daniel T.; Moore III, Kevin B.; Svensson, Mats; Videla, Pablo E.; Watson, Mark A.; Friesner, Richard A.
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Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-05
err5
errOAAI
errHou, Lin; Irons, Tom J. P.; Wang, Yanyong; Furness, James W.; Wibowo-Teale, Andrew M.; Sun, Jianwei
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errSave
Emergence of competing electronic states from non-integer nuclear charges
errCOMMUNICATIONS PHYSICS
IF5.8
err2023-09-08
err0
errOAAI
errFurness, James W.; Zhang, Ruiqi; Kidd, Jamin; Sun, Jianwei
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errSave
Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-15
err4
errOAAI
errFitzhugh, Henry C. C.; Furness, James W. W.; Pederson, Mark R. R.; Peralta, Juan E. E.; Sun, Jianwei
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errSave
Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction br
erracs nanoscience au
IF6.5
err2022-11-09
err22
errOAAI
errKothakonda, Manish; Kaplan, Aaron D.; Isaacs, Eric B.; Bartel, Christopher J.; Furness, James W.; Ning, Jinliang; Wolverton, Chris; Perdew, John P.; Sun, Jianwei
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errSave
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-03
err8
errOAAI
errPokharel, Kanun; Furness, James W.; Yao, Yi; Blum, Volker; Irons, Tom J. P.; Teale, Andrew M.; Sun, Jianwei
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errSave
Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r2SCAN+rVV10
errPHYSICAL REVIEW B
IF3.7
err2022-08-23
err47
errOAAI
errNing, Jinliang; Kothakonda, Manish; Furness, James W.; Kaplan, Aaron D.; Ehlert, Sebastian; Brandenburg, Jan Gerit; Perdew, John P.; Sun, Jianwei
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errSave
Reliable Lattice Dynamics from an Efficient Density Functional Approximation
errCHEMISTRY OF MATERIALS
IF7
err2022-02-28
err20
errOAAI
errNing, Jinliang; Furness, James W.; Sun, Jianwei
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errSave
Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-02-11
err21
errOAAI
errPokharel, Kanun; Lane, Christopher; Furness, James W.; Zhang, Ruiqi; Ning, Jinliang; Barbiellini, Bernardo; Markiewicz, Robert S.; Zhang, Yubo; Bansil, Arun; Sun, Jianwei
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Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-19
err36
errOAAI
errFurness, James W.; Kaplan, Aaron D.; Ning, Jinliang; Perdew, John P.; Sun, Jianwei
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errSave
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-16
err19
errOAAI
errDavid, Gregoire; Irons, Tom J. P.; Fouda, Adam E. A.; Furness, James W.; Teale, Andrew M.
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errSave
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-09
err108
errOAAI
errEhlert, Sebastian; Huniar, Uwe; Ning, Jinliang; Furness, James W.; Sun, Jianwei; Kaplan, Aaron D.; Perdew, John P.; Brandenburg, Jan Gerit
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errSave
Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error (vol 150, 014105, 2019)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-22
err0
errOAAI
errZhang, Yubo; Furness, James W.; Xiao, Bing; Sun, Jianwei
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errSave
Examining the order-of-limits problem and lattice constant performance of the Tao-Mo functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-23
err12
errOAAI
errFurness, James W.; Sengupta, Niladri; Ning, Jinliang; Ruzsinszky, Adrienn; Sun, Jianwei
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errSave
First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr2IrO4
errPHYSICAL REVIEW B
IF3.7
err2020-04-09
err33
errOAAI
errLane, Christopher; Zhang, Yubo; Furness, James W.; Markiewicz, Robert S.; Barbiellini, Bernardo; Sun, Jianwei; Bansil, Arun
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errSave
Competing stripe and magnetic phases in the cuprates from first principles
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2019-12-16
err72
errOAAI
errZhang, Yubo; Lane, Christopher; Furness, James W.; Barbiellini, Bernardo; Perdew, John P.; Markiewicz, Robert S.; Bansil, Arun; Sun, Jianwei
errShare
errSave
Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering
errJOURNAL OF CATALYSIS
IF6.5
err2019-06-01
err23
errOAAI
errNing, Jinliang; Furness, James W.; Zhang, Yubo; Thenuwara, Akila C.; Remsing, Richard C.; Klein, Michael L.; Strongin, Daniel R.; Sun, Jianwei
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errSave
Enhancing the efficiency of density functionals with an improved iso-orbital indicator
errPHYSICAL REVIEW B
IF3.7
err2019-01-30
err49
errOAAI
errFurness, James W.; Sun, Jianwei
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michael L. Klein
H-index: 120 · Papers: 1.2K
J
John P. Perdew
H-index: 113 · Papers: 552
C
Chris Wolverton
H-index: 111 · Papers: 1.2K
R
Richard A. Friesner
H-index: 107 · Papers: 486
T
Trygve Helgaker
H-index: 87 · Papers: 435
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