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The Journal of Chemical Physics|May 28, 2005
First principles local pseudopotential for silver: towards orbital-free density-functional theory for transition metalsBaojing Zhou, Emily A CarterJournal of the American Chemical Society|June 28, 2019
Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 MonolayersLesheng Li, Emily A CarterProceedings of the National Academy of Sciences of the United States of America|December 6, 2017
Extending density functional embedding theory for covalently bonded systemsKuang Yu, Emily A CarterThe Journal of Chemical Physics|January 22, 2018
Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis setsXing Zhang, Emily A CarterJournal of Chemical Theory and Computation|August 21, 2020
Revisiting Competing Paths in Electrochemical CO2 Reduction on Copper via Embedded Correlated Wavefunction TheoryQing Zhao, Emily A CarterThe Journal of Chemical Physics|July 21, 2025
Embedded random phase approximation for magnetic systems: H2 dissociative adsorption on Fe(110)Ziyang Wei, Emily A CarterEnvironmental Science & Technology|July 18, 2024
Mechanistic Implications of the Varying Susceptibility of PAHs to Pyro-Catalytic Treatment as a Function of Their Ionization Potential and HydrophobicitySara B Denison, Peixuan Jin, Kyriacos Zygourakis, et al.Environmental Science & Technology|May 28, 2026
Metal-Site Reducibility Governs C-H Activation and PAH Degradation in Ion-Exchanged BentonitePeixuan Jin, Sara B Denison, Kyriacos Zygourakis, et al.The Journal of Chemical Physics|August 2, 2013
Development of a ReaxFF potential for Pd∕O and application to palladium oxide formationThomas P Senftle, Randall J Meyer, Michael J Janik, et al.Analytical Chemistry|May 3, 2025
Fluorescent Sodium Alginate Hydrogel-Carbon Dots Sensor for Detecting Perfluorooctanoic Acid in Potable WaterSomayeh Mohammadi, Christian Sandoval-Pauker, Zayra N Dorado, et al.Pageof 21