Physical, Theoretical and Computational Chemistry

Division Representatives

Alex Brown (alex.brown@ualberta.ca), University of Alberta

Symposia and Organizers

1D and 2D Materials: From Computational Studies to Applications

Organizer:
Benoit Simard (benoit.simard@nrc-cnrc.gc.ca), National Research Council Canada

Addressing the Challenges in Soft and Hard Matter Simulations

Organizers:
Stella Consta (sconstas@uwo.ca), Western University 
Richard Bowles (richard.bowles@usask.ca), University of Saskatchewan 
Gren Patey (patey@chem.ubc.ca), University of British Columbia

Invited Speakers
Christos Likos, University of Vienna, Austria
Alenka LuzarVirginia Commonwealth University, USA
Raymond Kapral, University of Toronto
Peter Kusalik, University of Calgary
Claudio Margulis, University of Iowa, USA
Christopher Rowley, Memorial University
Prof. Ilja Siepmann, University of Minnesota, USA
Peter Tielemen, University of Calgary
Greg van Anders, University of Michigan, USA

Assessing Complex Free Energy Surfaces from Molecular Simulations from Electronic Structure to Mesoscopic Processes

Organizers:
Sergei Noskov 
(snoskov@ucalgary.ca), University of Calgary 
Justin MacCallum (ustin.maccallum@ucalgary.ca), University of Calgary 
Roman Krems (rkrems@chem.ubc.ca), University of British Columbia

Invited Speakers
Teresa Head-Gordon, University of California, Berkeley, USA
Sarah Rauscher, University of Toronto,
Chris Fennel, Okhlahoma State University, USA
Greg Bowman, Washington University, St. Louis, USA
Alberto Perez, SUNY Stony Brook, USA
Peter Tieleman, University of Calgary
Jean-Philip Piquemal, Sorbonne University, France
Guillaume Lamoureux, Concordia University
Regis Pomes, University of Toronto and Sick Kids Hospital
Jana Shen, University of Maryland, School of Pharmacy, USA
Garegin Papoian, University of Maryland, College Park, USA
Chen Song, Peking University, China
Irina Paci, University of Victoria
Carsten Baldouf, Fritz Haber Institute, Germany
Artur Izmaylov, University of Toronto
Ed Harder, Schrodinger Inc., USA
Vince Voelz, Temple University, USA
Oleksandr Vozny, University of Toronto

Computational Modelling of Biomolecular Systems: From Structure to Function

Organizers:
Stacey Wetmore (stacey.wetmore@uleth.ca), University of Lethbridge 
James Gauld (gauld@uwindsor.ca), University of Windsor 
Leif Eriksson (leif.eriksson@chem.gu.se), University of Gothenburg, Sweden

Invited Speakers
Elisa Fadda, Maynooth University, Ireland
Pedro Fernandes, University of Porto, Portugal
Sharon Hammes-Schiffer, Yale University, USA
Teresa Head-Gordon, University of California, Berkeley, USA
Petr Jurecka, Palacky University, Olomouc, Czech Republic
Rongzhen Liao, Huazhong University of Science and Technology, China
Justin MacCallum, University of Calgary
Nicolas Moitessier, McGill University
Gilles Peslherbe, Concordia University
Rajeev Prabhakar, University of Miami, USA
Christopher Rowley, Memorial University
Dennis Salahub, University of Calgary
Qadir Timerghazin, Marquette University, USA
Jack Tuszynski, University of Alberta

ESR Spectroscopy: Experiment and Theory

Organizers:
Ramaswami Sammynaiken (r.sammynaiken@usask.ca), University of Saskatchewan 
Pierre Kennepohl (pierre@chem.ubc.ca), University of British Columbia 
Charles Walsby (cwalsby@sfu.ca), Simon Fraser University

Exploring Quantum Molecular Dynamics: Theoretical and Experimental Approaches

Organizers:
Alex Brown (alex.brown@ualberta.ca), University of Alberta 
Pierre-Nicholas Roy (pnroy@uwaterloo.ca), University of Waterloo

Invited Speakers
Sophya Garashcuk, University of South Carolina, USA
Aaron Kelly, Dalhousie University
Takamasa Momose, University of British Columbia
Paul Raston, James Madison University, USA
Michael Schuurman, National Research Council/Ottawa
Jennifer van Wijngarden, University of Manitoba
Yunjie Xu, University of Alberta
Toby Zeng, Carleton University

General Session

Organizer:
Travis Fridgen (tfridgen@mun.ca), Memorial University

Materials for Renewable Energy Technologies

Organizers:
Gregory Jerkiewicz (gregory.jerkiewicz@chem.queensu.ca), Queens University 
Daniel Guay (guay@emt.inrs.ca), Institut national de la recherche scientifique 
Byron Gates (bgates@sfu.ca), Simon Fraser University

Multiscale modelling of Bio-/Nano- systems

Organizers:
Sergey Gusarov (sergey.gusarov@nrc-cnrc.gc.ca), National Institute for Nanotechnology 
Andrei Kovalenko (andriy.kovalenko@nrc-cnrc.gc.ca), National Institute for Nanotechnology 
Stanislav Stoyanov (stanislav.stoyanov@canada.ca), CanMET
Dennis Salahub (dennis.salahub@ucalgary.ca), University of Calgary
Sergei Noskov (snoskov@ucalgary.ca), University of Calgary

Spectroscopic Techniques for Atmospheric Chemistry - joint with EN

Organizers:
Wolfgang Jäger (wolfgang.jaeger@ualberta.ca), University of Alberta 
Sarah Styler (sstyler@ualberta.ca), University of Alberta 
Kaley Walker (kwalker@atmosp.physics.utoronto.ca), University of Toronto

Spectroscopy: a Tool Box for Chemical Problems

Organizers:
Yunjie Xu (yunjie.xu@ualberta.ca), University of Alberta
Jennifer van Wijngaarden (jennifer.vanwijngaarden@umanitoba.ca), University of Manitoba
Takamasa Momose (momose@chem.ubc.ca), University of British Columbia

Solid-state NMR Spectroscopy: New Frontiers in Small Molecules, Biomolecular Solids and Materials Science

Organizers:
Vlad Michaelis (vladimir.michaelis@ualberta.ca), University of Alberta 
Rod Wasylishen (roderick.wasylishen@ualberta.ca), University of Alberta

Teaching in Physical, Theoretical and Computational Chemistry - joint with CE

Organizer:
Alex Brown (alex.brown@ualberta.ca), University of Alberta

Understanding Ancient and Historical Materials

Organizers:
Thomas Ellis (thomas.ellis@usask.ca), University of Saskatchewan
Scott Rosendahl (scott.rosendahl@lightsource.ca), Canadian Light Source