个人简介

Ph.D. (with G.N. Patey) Chemistry University of British Columbia 1987 M.Sc. (with G.N. Patey) Chemistry University of British Columbia 1984 B.Sc. (great distinction) Chemistry University of Lethbridge 1981

研究领域

Physical Chemistry

Dr. Kusalik's research program focuses on model studies of condensed-phase (solid, liquid, or solution) systems, where molecular simulation will be the primary research tool. The principal aim of this work is to probe the microscopic behaviour of these systems and to further our understanding of it's relationship to the macroscopic (bulk) properties of the condensed states of matter and their transformations. The insights gained through his research will impact upon many areas of the discipline of chemistry, as well as on such far ranging fields as atmospheric science, materials science, and molecular biology. The work within his research group continues in several exciting areas. They will explore new models and new methodologies to perform simulation studies not previously possible. The local structure and dynamics in molecular liquids and solutions will be probed to further our understanding of microscopic behaviour. Working at the forefront of the molecular modeling of liquid-solid phase transitions, they will examine heterogeneous crystal growth, both from pure liquids and from solution. The (homogeneous) nucleation of crystals will also remain as an area of study. Throughout much of this work, water will continue to be a focus of our attention. They will continue to build on the leadership they have established in aqueous systems, where their interests have now expanded to include effects of quantization on molecular motion and their implications to bulk properties.

近期论文

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E. Codorniu-Hernández, K. Hall, A.D. Boese, D. Ziemianowicz, S. Carpendale, and P.G. Kusalik, "Mechanism of O(3P) Formation from a Hydroxyl Radical Pair in Aqueous Solution", J. Chem. Theor. Comp. 10, 4740-4748 (2015). Shuai Liang and P.G. Kusalik, "The nucleation of gas hydrates near silica surfaces", Can. J. Chem. 93, 791-798 (2015). Shuai Liang and P.G. Kusalik, "Communication: Structural interconversions between principal clathrate hydrate structures", J. Chem. Phys. 143, 011102 (2015). M. Lauricella, S. Meloni, S. Liang, N.J. English, P.G. Kusalik, and G. Ciccotti, "Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation", J. Chem. Phys. 142, 244503 (2015). H. Dittmar and P.G. Kusalik, "Driving Ordering Processes in Molecular-Dynamics Simulations", Phys. Rev. Lett. 112, 195701 (2014). E. Codorniu-Hernández, K. Hall, D. Ziemianowicz, S. Carpendale, and P.G. Kusalik, "Aqueous production of oxygen atoms from hydroxyl radicals", Phys. Chem. Chem. Phys. 16, 26094 (2014). E. Codorniu-Hernández and P.G. Kusalik, "The hemibond as an alternative condensed phase structure for the hydroxyl radical" Can. J. Chem., 91, 544-551 (2013). P. Pirzadeh and P.G. Kusalik, "Molecular Insights into Clathrate Hydrate Nucleation at an Ice- Solution Interface" J. Am. Chem. Soc. 135, 7278-7287 (2013). S. Liang and P.G. Kusalik, "Nucleation of Gas Hydrates within Constant Energy Systems" J. Phys. Chem. B. 117, 1403-1410 (2013). E. Codorniu-Hernández and P.G. Kusalik, "Probing the mechanisms of proton transfer in liquid water"Proc. Nat. Acad. Sc. 110, 13697-13698 (2013). N.J. English, P.G. Kusalik and J.S. Tse, "Density equalisation in supercooled high- and low-density water mixtures" J. Chem. Phys. 139, 084508 (2013). D. Rozmanov and P. G. Kusalik, "Isoconfigurational molecular dynamics study of the kinetics of ice crystal growth", Phys. Chem. Chem. Phys., 14, 13010-13018 (2012). D. Rozmanov and P. G. Kusalik, "Anisotropy in the crystal growth of hexigonal ice, I-h", J. Chem. Phys.,137, 094702 (2012). N.J. English, P. G. Kusalik and S.A. Woods, "Coupling of translational and rotational motion in chiral liquids in electromagnetic and circularly polarised electric fields", J. Chem. Phys., 136, 094508 (2012). D. Rozmanov and P. G. Kusalik, "Transport coefficients of the TIP4P-2005 water model", J. Chem. Phys.,136, 44507 (2012).DOI: 10.1063/1.3677196 E. Codorniu-Hernandez and P. G. Kusalik, "Mobility Mechanism of Hydroxyl Radicals in Aqueous Solution via Hydrogen Transfer", J. Am. Chem. Soc., 134, 532 (2012).DOI: 10.1021/ja208874t E. Codorniu-Hernandez and P. G. Kusalik, "Hydroxyl radicals in ice: insights into local structure and dynamics", Phys. Chem. Chem. Phys., 14, 11639 (2012).DOI: 10.1039/C2CP41071K P. Pirzadeh, E. N. Beaudoin, P. G. Kusalik, "Interfacial Free Energy: An Entropy Portent to Energy Changes", Cryst. Growth Des., 12, 124 (2012).DOI: 10.1021/cg200861e E. Codorniu-Hernandez and P. G. Kusalik, "Insights into the Solvation and Mobility of the Hydroxyl Radical in Aqueous Solution", J. Chem. Theory Comp., 7, 3725 (2011).DOI: 10.1021/ct200418e