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Physical Review Letters|December 30, 2017
Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness DisasterTim Gould, Stefano Pittalis
Science Advances|February 13, 2019
Polymorphism of bulk boron nitrideClaudio Cazorla, Tim Gould
Journal of Chemical Theory and Computation|June 16, 2025
"Slim" Benchmark Sets for Faster Method DevelopmentTim Gould, Stefan Vuckovic
Physical Review Letters|August 7, 2019
Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited StatesTim Gould, Stefano Pittalis
Journal of Chemical Theory and Computation|June 16, 2016
C6 Coefficients and Dipole Polarizabilities for All Atoms and Many Ions in Rows 1-6 of the Periodic TableTim Gould, Tomáš Bučko
Journal of Chemical Theory and Computation|August 21, 2019
Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital OccupationsMaria Hellgren, Tim Gould
The Journal of Chemical Physics|March 9, 2021
Ensemble generalized Kohn-Sham theory: The good, the bad, and the uglyTim Gould, Leeor Kronik
Chemical Science|May 22, 2018
Anisotropic functionalization of upconversion nanoparticlesWei Ren, Shihui Wen, Sherif Abdulkader Tawfik, et al.
ACS Sensors|December 8, 2021
Nicotine Sensors for Wearable Battery-Free Monitoring of VapingMd Ataur Rahman, Le Cai, Sherif Abdulkader Tawfik, et al.
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