Dr. Joshua Hollett
Title: Chair and Professor
Phone: 204.786.9300
Office: 2RC009 - Lab: 3RC049
Building: Richardson College for the Environment and Science Complex
Email: j.hollett@uwinnipeg.ca
Degrees:
NSERC Postdoctoral Fellow Australian National University, 2009-2012
Ph.D. Memorial University of Newfoundland, 2009
B.Sc. Hons. Memorial University of Newfoundland, 2005
Biography:
Courses:
CHEM 1111 Introductory Chemical Properties
CHEM 2103 Atoms, Molecules and Spectroscopy
CHEM-2103 Atoms, Molecules and Spectroscopy - Lab
CHEM-2104 Computational Drug Design
CHEM-2701 Computer Techniques and Applications for Chemistry
CHEM 3102 Quantum Chemistry and Spectroscopy
CHEM 4101 Quantum Chemistry
CHEM 4703 Advanced Computational Chemistry
Research Interests:
DEVELOPMENT OF NEW, MORE EFFICIENT, METHODS FOR MODELLING ELECTRONIC STRUTURE - Dr. Hollett's 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.
He is 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.
Website
Publications:
Recent Publications
Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD
JW Hollett and P-F Loos
J Chem Phys 152 (2020) 014101
The bimolecular catalytic transformation of methyl vinyl ketone oxide: A DFT study
I Elayan, M Almatarneh and JW Hollett
Chem Phys 530 (2020) 110649
Reactivity of the anti-Criegee intermediate of β-pinene with prevalent atmospheric species
I Elayan, M Almatarneh and JW Hollett
Struct Chem 30 (2019) 1353
On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel-spin
JW Hollett and N Pegoretti
J Chem Phys 148 (2018) 164111
The relative alignment of electron momenta in atoms and molecules and the effect of a static electric field
JW Hollett and W Li
J Phys Chem A 121 (2017) 8026
A cumulant functional for static and dynamic correlation
JW Hollett, H Hosseini, and C Menzies
J Chem Phys 145 (2016) 084106