Emily A. Carter

Dean, School of Engineering and Applied Science
Gerhard R. Andlinger Professor in Energy and the Environment. Professor of Mechanical and Aerospace Engineering and Applied and Computational Mathematics
Email Address: 
Office Location: 
C230 Engineering Quad C-Wing
Publications List: 

G. S. Gautam and E. A. Carter, “Evaluating transition-metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications,” Phys. Rev. Mater., 2, 095401 (2018). doi: 10.1103/PhysRevMaterials.2.095401


B. G. del Rio, M. Chen, L. E. González, and E. A. Carter, “Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn,” J. Chem. Phys., 149, 094504 (2018). (Editor’s Pick) doi: 10.1063/1.5040697; Scilight: doi: 10.1063/1.5054900


 J. M. P. Martirez and E. A. Carter, “Effects of the Aqueous Environment on the Stability and Chemistry of β-NiOOH Surfaces,” Chem. Mater., 30, 5205 (2018). doi: 10.1021/acs.chemmater.8b01866


S. Xu and E. A. Carter, “2-pyridinide as an active catalytic intermediate for CO2 reduction on p-GaP photoelectrodes: Lifetime and selectivity,” J. Am. Chem. Soc., 140, 8732 (2018). doi: 10.1021/jacs.8b03774


W. C. Witt, B. G. del Rio, J. M. Dieterich, and E. A. Carter, “Orbital-free density functional theory for materials research,” J. Mater. Res., 33, 777 (2018). doi: 10.1557/jmr.2017.462


X. Zhang and E. A. Carter, “Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets,” J. Chem. Phys., 148, 034105 (2018). doi: 10.1063/1.5005839