|
|||||
|
Keywords: Computational
Chemistry, Theoretical Chemistry, Quantum Chemistry, Molecular
Dynamics, Multiscale Simulation, Tribochemistry,
Mechanochemistry, Nanomaterials Welcome to the webpage of the Mosey Research Group in the Department of Chemistry at Queen's University in Kingston, Ontario, Canada. Our research efforts focus on the development and application of cutting-edge simulation methods for gaining atomic-level insights into the properties and behaviour of molecules and materials. The research pursued by the group involves a high degree of integration between method development, application, and high-performance computing. Click here for specific details regarding our current research efforts. Due to the integrated, multidisciplinary nature of our work, researchers in the group obtain a well-rounded background in theoretical and computational chemistry. Students interested in joining the group should contact Dr. Mosey. |
|||||
| Announcements | |||||
|
We welcome Gurpaul, Sarah and Faisal to the group.
Gurpaul will undertake an M.Sc. project investigating the
fundamental details of mechanochemistry. Sarah and
Faisal will perform undergraduate thesis project. Sarah will
study tribochemical reactions and Faisal will develop methods
for detecting the onset of reactions in temporal QM/MM
simulations. There are currently several positions available in the group at the graduate level. Interested applicants should contact Dr. Mosey directly and visit the Queen's Chemistry website for additional details. |
|||||
Graduate students: Positions are available at the M.Sc. and Ph.D. levels, and are suited to students with experience and interests in chemistry, physics, applied mathematics, and computer science. Interested students should contact me and check out our research page for more information regarding the types of projects undertaken by the group. Interested graduate students should also check the application procedures on the Department of Chemistry website. Postdoctoral Fellows: There are currently no specific postdoctoral research positions available in the group. However, applications from well-qualified researchers with interests in our program are always welcome. Interested researchers who have obtained (or will soon obtain) a Ph.D. in theoretical chemistry or a related discipline should contact me directly. Undergraduate Students: Various positions for undergraduate researchers are available throughout the year. During the academic year, projects are offered for students taking CHEM 417 and CHEM 497. During the summer, students may pursue opportunities though the NSERC USRA and Queen's SWEP programs. Interested students should contact Dr. Mosey regarding undergraduate research opportunities. |
|||||
| Representative Publications (full list) | |||||
| 5. | Mosey, N.J. Carter, E.A. "Ab initio LDA+U Prediction of the Tensile Properties of Chromia across Multiple Length Scales." J. Mech. Phys. Solids, 2009, 57, 287-304. | ||||
| 4. | MacQuarrie, S., Thompson, M., Blanc, A., Mosey, N.J., Lemieux, R.P., Crudden, C.M. "Chiral Periodic Mesoporous Organosilicates based on Axially Chiral Monomers." J. Am. Chem. Soc., 2008, 130, 14099-14101. | ||||
| 3. | Mosey, N.J., Liao, P., Carter, E.A. "Rotationally-Invariant ab initio Evaluation of Exchange and Coulomb Parameters for DFT+U Calculations." J. Chem. Phys., 2008, 129, 014103. | ||||
| 2. | Mosey, N.J., Woo, T.K. "Ab ab initio Molecular Dynamics and Density Functional Theory Study of the Formation of Phosphate Chains from Metathiophosphates." Inorg. Chem., 2006, 45, 7464-7479. | ||||
| 1. | Mosey, N.J., Müser, M.H., Woo, T.K. "Molecular Mechanisms for the Functionality of Lubricant Additives." Science, 2005, 307, 1612-1615. | ||||
| Awards and Honours | |||||
| 2009 | John Charles Polanyi Prize | ||||
| 2009 | Early Research Award from the Province of Ontario | ||||
| 2006 - 2008 | NSERC Postdoctoral Fellowship - Taken up at Princeton University | ||||
| 2007 | NSERC Doctoral Prize (Ph.D. thesis ranked in the top two in Canada across all fields of natural science) | ||||
| 2006 | NSERC Howard Alper Postdoctoral Prize (Top applicant for an NSERC Postdoctoral Fellowship across all fields of science and engineering) | ||||
| 2006 | Paul de Mayo Award (Top Ph.D. thesis in the Department of Chemistry at the University of Western Ontario) | ||||
| 2006 | Attendee of the 56th Meeting of the Nobel Laureates in Lindau, Germany (1 of 500 research selected for attendance worldwide. 1 of 5 Canadians sponsored by NSERC.) | ||||
|
Contact Information Nick Mosey, Ph.D. Department of Chemistry Queen's University Kingston, ON, Canada K7L 3N6 e-mail: nicholas.mosey@chem.queensu.ca phone: (613) 533-2650 (32650 if on campus) fax: (613) 533-6669 |
|||||
