Dr. Joshua Hollett

pictureDepartment of Chemistry
Richardson College for the Environmental and Science Complex
The University of Winnipeg
599 Portage Avenue.
Winnipeg, MB, Canada
R3B 2G3Phone : (204) 786-9300
Fax : (204) 774-2401
E-mail: j.hollett@uwinnipeg.ca
Research group website

Education:

B. Sc. Hons. (Memorial University of Newfoundland, 2005)
Ph. D. (Memorial Univeristy of Newfoundland, 2009)
NSERC Postdoctoral Fellow (Australian National University, 2009-2012)

Courses:

Introductory Chemistry, Physical and Quantum Chemistry

Research:

My research involves the development of new, more efficient, methods for modelling electronic structure.  Computational chemistry methods are plagued by the electron correlation problem.  Accurate calculations require models that correlate the motion of electrons, however conventional models are generally too expensive, computationally, for large systems.  An alternative is Natural Orbital Functional Theory (NOFT), which provides a framework for an economical and accurate treatment of electron correlation.   A solution to the correlation problem lies with the development of an accurate natural orbital correlation funcitonal.

I am also interested in the application of existing computational chemistry methodologies to complex chemical problems, particularly, computational virology. The development of treatments for devastating diseases such as AIDS and hepatitis C is deeply rooted in understanding the complex interactions between viruses and the immune system. Much can be learned about these interactions by studying viruses such as HIV and HCV and cells of the immune system at the molecular level. The proteins involved in virus replication, T-cell recognition, and drug interactions can all be modeledcomputationally to shed light on this important biological problem.

Publications:

J.W. Hollett and P.M.W. Gill, “Distributions of r1·r2 and p1·p2 in atoms”, Journal
of Chemical Theory and Computation, 2012, 8, 1657.

T. Limpanuparb, J.W. Hollett and P.M.W. Gill, “Resolutions of the Coulomb operator. VI. Evaluation of auxiliary integrals”, Journal of Chemical Physics, 2012, 136, 104102.

J.W. Hollett, L.K. McKemmish and P.M.W. Gill, “The nature of electron correlation in
a dissociating bond”, Journal of Chemical Physics, 2011, 134, 224103.

J.W. Hollett and P.M.W. Gill, “The two faces of static correlation”, Journal of Chemical
Physics, 2011, 134, 114111.

J.W. Hollett and P.M.W. Gill, “Intracule Functional Models. V. Recurrence relations for
two-electron integrals in position and momentum space”, Physical Chemistry Chemical
Physics, 2011, 13, 2972-2978.

J.W. Hollett and R.A. Poirier, “Properties and applications of the average interparticle
distance”, Proceedings of Modeling and Design of Molecular Materials 2008, Journal of
Molecular Modeling, 2009, 15, 739-745.

J.W. Hollett and R.A. Poirier, “SEST: Simulated electronic structure theory”, Journal
of Chemical Theory and Computation, 2009, 5, 126-135.

J.W. Hollett and R.A. Poirier, “An interesting relationship between interelectronic dis-
tance and the corresponding coulomb integral”, Journal of Theoretical and Computa-
tional Chemistry, 2007, 6, 13-22.

R.A. Poirier, M.S. Islam, and J.W. Hollett, “Computational Study of the Reactions of
SiH3X (X = H, Cl, Br, I) with HCN”, Journal of Physical Chemistry A, 2007, 111,
526-540.

J.W. Hollett, A. Kelly, R.A. Poirier, “Quantum Mechanical Size and Steric hindrance”,
Journal of Physical Chemistry A, 2006, 110, 13884-13888.