Biography

Faculty Profile: https://works.bepress.com/erik-hoy/

Website(Research Group): https://sites.google.com/view/rowanquantumchem/home

Website(Personal): https://www.linkedin.com/in/ephchem

Education:
BS (Chemistry), Tennessee Technological University
PhD (Physical Chemistry), University of Chicago
Post-doctoral Scholar (Theoretical Molecular Electronics), Northwestern University

Post-doctoral Scholar (Chemical Reaction Dynamics and Conical Intersections), Johns Hopkins University

Research Expertise:
Quantum Chemistry | Electron Transport | Electronic Devices

The current focus for my research group is to lead exploratory investigations using high accuracy electronic structure and electron transport techniques to uncover new and more efficient molecular devices for electronics and renewable energy applications. To do this, my research group develops and employs novel Green’s function transport formalisms combined with both traditional wavefunction based electronic structure methods and a unique type of electronic structure methods based on 2-electron reduced density matrix (2-RDM) mechanics which provide a more natural picture of electron interactions. These techniques allow us to examine promising molecular electronic devices in order to better define the role of molecular electron-electron interactions in determining electron transport and provide experimentalists with useful feedback for the challenging task of designing new devices. Other interests include organic materials/electronics and studying small molecule and organic reaction pathways using high accuracy electronic structure and molecular dynamics techniques.

Member of:
American Chemical Society (www.acs.org)

Materials Research Society of Singapore (http://www.mrs.org.sg)

Recent Publications:

Erik P. Hoy, David A. Mazziotti, and Tamar Seideman, “Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions” J. Chem. Phys. 147, 184110 (2017).

Erik P. Hoy and David A. Mazziotti, “Positive semidefinite factorizations of the electron repulsion integral matrix.” J. Chem. Phys. 143, 064103 (2015).

Alison McManus, Erik P. Hoy, and David A. Mazziotti, "Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals." Phys. Chem. Chem. Phys. 17, 12521 (2015).

Erik P. Hoy, Neil Shenvi, and David A. Mazziotti, “Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations.” J. Chem. Phys. 139, 034105 (2013).

Erik P. Hoy, Christine Schwerdtfeger, and David A Mazziotti, “Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix method.” J. Phys. Chem. A 117, 1817 (2013).

Erik P. Hoy, Christine Schwerdtfeger, and David A. Mazziotti, “Isoelectronic analogue of oxywater: a parametric two electron reduced-density-matrix study of ammonia oxide.” Mol. Phys. 110, 10 (2012)