Find more details of our research in computational nanoscience at the Center for Computational Nanoscience website.
Our research interests in condensed matter theory center on the physical properties of low dimensional materials. Today’s technology makes it possible to create artificial structures almost atom by atom and the discovery of new materials has opened a new area of research in materials science, physics, and engineering. Our research emphasizes three themes in this rapidly expanding field:
We apply a number of computational approaches to study the electronic and thermal properties of effectively two-dimensional materials such as graphene, carbon nanotubes and related materials.
Electron transport is an important process that controls physical properties and chemical activities of both conventional semiconductor devices and molecular and biological systems such as DNA. We explore charge transport in quantum dots and in DNA, and how to harness it for applications such as DNA-based biosensors and quantum computing.
Finally we work on improving the models and approximations that go into the computer simulations we use – how to represent complicated many-electron effects by simple models and how to predict electronic structure without the need for chemical orbitals.
“How a Fano resonance crosses the mobility edge in quantum waveguides”
Yong S. Joe, V. Vargiamidis, A. M. Satanin, E. R. Hedin, and Y. D. Kim
Journal of Experimental and Theoretical Physics, 153, p126, NN5-6 (2018)
"Flux and Strain Effects on Electron Transport in a Linear Array of Mesoscopic Rings"
Eric R. Hedin and Y. S. Joe
The European Physical Journal B, 90: 56. doi:10.1140/epjb/e2017-80025-8 (2017)
“Perpendicular susceptibility and geometrical frustration in two-dimensional Ising antiferromagnets: Exact solutions,”
K.A. Muttalib, M. Khatun, and J.H Barry
Phys. Rev B Vol. 96, No 18, 184411 (2017)
“Effects of Band Hybridization on Electronic properties in Tuning Armchair Graphene Nanoribbons”
Mahfuza Khatun, Zhe Kan, Antonio Cancio, and Chris Nelson
Canadian Journal of Physics Vol. 94, No. 2, pp. 218-225 (2016)
"Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms"
Antonio C. Cancio, Jeremy J. Redd
Molecular Physics, 115, 618 (2016).
“Laplacian based models of the exchange energy”
A.C.Cancio, Chris E. Wagner, and Shaun A. Wood,
Int. J. Quantum Chem., early online publication, DOI: 10.1002/qua.24230.