Physical, Theoretical and Computational Chemistry

Division Representatives

Scott Prosser, University of Toronto
Dvira Segal, University of Toronto

Symposia, Organizers and Invited Speakers

Electron Localization and Delocalization: Theory, Measures, and Applications in Chemistry

Organizer:
Cherif F Matta (cherif.matta@msvu.ca), Mount Saint Vincent University

Invited Speakers:
Paul Ayers, McMaster University
Alexander Boldyrev, Utah State University, USA
Ronald Cook, TDA Research Inc.
Fernando Cortés Guzmán, Universidad Nacional Autónoma de México, Mexico
Mark Eberhart, Colorado School of Mines, USA
Khash Ghandi, Mount Allison University
Erin Johnson, Dalhousie University
Miroslav Kohout, Max Planck Institute for Chemical Physics of Solids, Germany
Àngel Martin-Pendas, Universidad de Oviedo, Spain
Lou Massa, Hunter College, City University of New York, USA
Paul Popelier, University of Manchester, UK
Markus Reiher, ETH Zurich, Switzerland
Jorge H Rodriguez, Purdue University, USA
Sason Shaik, The Hebrew University of Jerusalem, Israel
Pawel Tecmer, Nicolaus Copernicus University, Poland

Electronic Structure Theory

Organizers:
Paul Ayers, McMaster University
Marcel Nooijen, University of Waterloo
Viktor Staroverov (vstarove@uwo.ca), Western University

Invited Speakers:
Axel Becke, Dalhousie University
Aron Cohen, University of Cambridge, UK
Matthias Ernzerhof, Université de Montréal
So Hirata, University of Illinois at Urbana-Champaign, USA
Artur Izmaylov, University of Toronto
Paul Johnson, Université Laval
Rustam Khaliullin, McGill University
Gerald Knizia, Pennsylvania State University, USA
Neepa Maitra, Hunter College, City University of New York, USA
Eric Neuscamman, University of California – Berkeley, USA
Ilya Ryabinkin, University of Toronto
Sandeep Sharma, University of Colorado – Boulder, USA
Toru Shiozaki, Northwestern University, USA
Alexander Sokolov, California Institute of Technology, USA
Ágnes Szabados, Eötvös Loránd University, Hungary
Cyrus Umrigar, Cornell University, USA
Dominika Zgid, University of Michigan, USA
Tao (Toby) Zeng, Carleton University

Interactions of Charged Species in Droplets and Bulk

Organizer:
Styliani Consta (sconstas@uwo.ca), Western University

Invited Speakers:
Christos Likos, University of Vienna, Austria
Valeria Molinero, University of Utah, USA
Gren Patey, University of British Columbia
Sotiris Xantheas, Pacific Northwest National Lab, USA

Noncovalent Interactions in Quantum Chemistry and Physics: Theory and Applications

Organizers:
Gino DiLabio (Gino.DiLabio@ubc.ca), University of British Columbia
Alberto Otero de la Roza (aoterodelaroza@gmail.com), National Research Council Canada

Invited Speakers:
Gregory Beran, University of California – Riverside, USA
Erin R Johnson, Dalhousie University
Jeffrey Reimers, Shanghai University, China
Chad Risko, University of Kentucky, USA
David Sherrill, Georgia Tech, USA
Timo Thonhauser, Wake Forest University, USA

Quantum Coherence and Dynamics in Biological Processes

Organizer:
Paul Brumer, University of Toronto

Invited Speakers:
Jianshu Cao, Massachusetts Institute of Technology, USA
Aurelian de la Lande, Université Paris-Sud, France
Sharon Hammes-Schiffer, University of Illinois, USA
Peter Hore, University of Oxford, UK
Tomas Mancal, Charles University, Czech Republic
Ron Naaman, Weizmann Institute of Science, Israel
Massimo Olivucci, Bowling Green State University, USA
Timur Tscherbul, University of Nevada - Reno, USA

Quantum Dynamical Phenomena in Chemistry

Organizers:
Artur Izmaylov (artur.izmaylov@utoronto.ca), University of Toronto
Dvira Segal (dsegal@chem.utoronto.ca), University of Toronto

Invited Speakers:
Nandini Ananth, Cornell University, USA
Victor Batista, Yale University, USA
Tucker Carrington, Queen’s University
Hardy Gross, Max Planck Institute - Halle, Germany
Gabriel Hanna, University of Alberta
Roman Krems, University of British Columbia
Todd Martinez, Stanford University, USA
PN Roy, University of Waterloo
Michael Schuurman, National Research Council Canada
Joe Subotnik, University of Pennsylvania

Statistical Mechanics of Soft Matter

Organizer:
Jeremy Schofield (jmschofi@chem.utoronto.ca), University of Toronto

Invited Speakers:
John Chodera, Memorial Sloan Kettering Cancer Center, USA
Mu-Jie Huang, University of Toronto
David Limmer, University of California - Berkeley, USA
Tom Miller, California Institute of Technology, USA
Will Noid, Pennsylvania State University, USA
David Sivak, Simon Fraser University

Advances in Solid State NMR: Inorganic Materials, Biological Solids and Theoretical Methods

Organizers:
Robert Schurko, University of Windsor
Simon Sharpe, The Hospital for Sick Children

Invited Speakers:
David Bryce, University of Ottawa
Gillian Goward, McMaster University
Yining Huang, Western University
Scott Kroeker, University of Manitoba
Marek Pruski, Ames Laboratory, USA
Jeffrey Reimer, University of California - Berkeley, USA
Aaron Rossini, Iowa State University, USA
Roderick Wasylishen, University of Alberta
Gang Wu, Queen's University

Nanoengineered Materials: Fundamentals and Applications

Organizer:
Al Amin Dhirani (adhirani@chem.utoronto.ca), University of Toronto

Invited Speakers:
Mathias Brust, University of Liverpool, UK
Richard McCreery, University of Alberta

Plasmonics for Chemistry and Biology

Organizer:
Gilbert Walker (gilbert.walker@utoronto.ca), University of Toronto

Invited Speakers:
Pierre Berini, University of Ottawa
Alex Brolo, University of Victoria
Jillian Buriak, University of Alberta
Warren Chan, University of Toronto
Zahra Fakhraai, University of Pennsylvania, USA
Nordin Félidj, Université Paris-Diderot, France
QiaoQian Gan, State University of New York - Buffalo, USA
Amr Helmy, University of Toronto
Eugenia Kumacheva, University of Toronto
François Lagugné-Labarthet, Western University
Michel Meunier, Ecole Polytechnique de Montréal
Silvia Mittler, Western University
Mohammad Mojahedi, University of Toronto
Martin Moskovits, University of California - Santa Barbara, USA
Gang Zheng, Princess Margaret Hospital

Protein Machines and Allostery

Organizers:
Lewis Kay (kay@pound.med.utoronto.ca), University of Toronto
Giuseppe Melacini (melacin@mcmaster.ca), McMaster University
Scott Prosser (scott.prosser@utoronto.ca), University of Toronto

Invited Speakers:
Andy Byrd, National Cancer Institute
Nick Doucet, INRS-Institut Armand-Frappier Research Centre
James Fraser, University of California - San Francisco, USA
Lewis Kay, University of Toronto
Julie Kitevski, University of Toronto
Joanne Lemieux, University of Alberta
Giuseppe Melacini, McMaster University
Anthony Mittermaier, McGill University
Scott Prosser, University of Toronto
Filip Van Petegem, University of British Columbia
Gianluigi Veglia, University of Minnesota, USA
Derek Wilson, York University

Proteins are remarkably sophisticated machines. In the case of enzymes, the conformational ensemble must accommodate substrates and facilitate catalysis. In the case of receptors, the protein machine must somehow pass on a ligand binding event to another protein partner. In these three symposia we consider new findings which aim to explain how the protein machine achieves function.

I. Lewis Kay
Protein Dynamics and function
The first session will be more foundational and will speak to structural ensembles and dynamics and how this may be relevant to biology
II. Giuseppe Melacini
Drug binding and allostery
Here we can begin to understand allosteric networks and how binding events can be propagated through receptors
III. Scott Prosser
Catalysis and allostery
What sort of dynamics take place in enzymes and how might they contribute to catalysis

Ultrafast Spectroscopy and Imaging of Molecular Processes

Organizer:
Dwayne Miller, University of Toronto and Max-Planck-Institut für Struktur und Dynamik der Materie, Germany

Invited Speakers:
Martin Aeschlimann, University Kaiserlautern, Germany
Frank Hegmann, University of Alberta
Pat Kambhampati, McGill University
Kevin Kubarych, University of Michigan, USA
Scott Murphy, University of Regina
Jennifer Ogilvie, University of Michigan, USA
Valerica Raicu, University of Wisconsin - Milwaukee, USA
Greg Scholes, Princeton University, USA
German Sciaini, University of Waterloo
Carlos Silva, Université de Montréal and Georgia Tech, USA
Brad Siwick, McGill University

Physical, Theoretical and Computational/Materials Chemistry Joint General Session

Organizers:
Robert Scott, University of Saskatchewan
Stephen Urquhart, University of Saskatchewan

Physical, Theoretical and Computational Chemistry Related Symposia