speakers
Abdulrahman, Mukadam – University of Regina
Wednesday – Chelate Effect: Quantum Chemical
Modelling of an Entropy Effect in Aqueous Solution
Ahmadi, Shideh – Queen’s University
Monday – Theoretical Insights to Glycerol
Adsorption on ∆-NiOOH Surface
Alain
Miranda Quintana, Ramon – University of
Florida
Al-Aziz
A. Abu-Saleh, Abd – Memorial University
Amruth
Raj Chukka, Prakash – University of
Lethbridge
Ananchenko, Anna – University of Ottawa
Tuesday – Arachidonic Acid Interactions with
Human Acid-Sensing Ion Channel 3
Arturo
Mora Gomez, Victor – University of
Alberta
Ayati, Amir – University of New Brunswick
Friday – Generator Coordinate Method for Electronic
Structure
Bhattacharya, Labanya – Indian Institute of Technology (Indian School of
Mines)
Boychuk, Briana – University of Calgary
Tuesday – An Assessment of DFT Methods for
Structure Prediction of Metal–Nucleic Acid Interactions
Bushnell, Eric – Brandon University
Wednesday – The Chemistry of Metal-Diselenolene
Complexes
Carpio-Martínez, Pablo – University of Alberta
Wednesday – Importance of Quantum Bath Sampling
on Heat Transport in a Model Single-Molecule Junction
Choueiri, Rachelle M. – University of Guelph
Chuang, Chern – University of Toronto
Cuierrier, Etienne – Université de Montréal
Das
Kallullathil, Sangeeth – Queen’s University
Devolder, Adrien – University of Toronto
Monday – Complete Quantum Coherent Control
of Ultracold Molecular Collisions
Dunn, Timothy – University of Florida
Elayan, Ismael A. – University of Manitoba and University of Alberta
Monday – Tackling the Static Correlation
Challenge with the ∆NO Method
Fiser, Béla – University of Miskolc
Thursday – Formation of Organic Species in
Space – A Case Study of Acetamide
Fournier, René – York University
Friday – BaF@Ar and the Electron Electric
Dipole Moment
Gaebler, Heather – Wilfrid Laurier University
Monday – Engineering Gold Superatoms with
Electron Withdrawing Ligands
Gonçalves, Tiago J. – University of Calgary
Monday – Methane Activation on α-Fe2O3:
A DFT Study
Guljas, Andrea – University of Toronto
Hu, Hang – Concordia University
Jeong, Rebecca – University of Lethbridge
Tuesday – A Computational Investigation of
Tobacco Smoke Induced DNA Phosphate Modifications
Jin, Qiu – University of Calgary
Jodaeeasl, Nazli – Concordia University
Kaadou, Fouad – Dalhousie University
Kabengele, Tilas – Dalhousie University
Wednesday – Study of Ultra-Low Friction in
Two-Dimensional Materials Using Density-Functional Theory
Kaliamurthi, Satyavani – Concordia University
Karabulut, Sedat – University of Windsor
Kaur, Rajwinder – University of Lethbridge
Kaur
Dhalla, Davinder – University of
Lethbridge
Tuesday – Amino Acid Alphabet Distribution
Unveils Nature’s Laws of Protein Design
Kilgour, Michael – McGill University
Tuesday – E2EDNA: Automated Simulation
Protocol for DNA Aptamers with Small Analytes
Kim, Justin – University of Toronto
Tuesday – Molecular Dynamics Simulations of
Protein Crystals
Klyshko, Eugene – University of Toronto
Krishnadas, Anirudh – York University
Thursday – Energy Surface and Melting-Like
Transition Modeling in Clusters
Kwan, Victor – University of Western Ontario
Wednesday – Computational Insight into the
Droplet-Ion Interactions
Lang, Robert A. – University of Toronto
Monday – Reducing the Resource Requirements
of Quantum Computing for Electronic Structure
Lee, Ethan – University of Toronto
Lefrançois-Gagnon, Kevin – Lakehead University
Luo, Siwei – University of British Columbia
Friday – Conservative Potentials for
Lattice-Like Coarse-Grained Schemes
MacDonell, Ryan J. – National Research Council of Canada
Wednesday – How to Direct Ultrafast
Photoisomerization with Substituents
Mansbach, Rachael A. – Concordia University
Wednesday – The SARS-CoV-2 Spike Variant D614G
Favors an Open Conformational State
Maryamdokht
Taimoory, Seyedeh – University of
Michigan and University of Windsor
Mayo, R. Alex – Dalhousie University
McFarlane, James – University of Lethbridge
Murray, Makay – University of Lethbridge
Nikkel, Dylan – University of Lethbridge
Thursday – Using MD and ONIOM Calculations to
Reveal the MutY Crosslinking Mechanism
Price, Alastair J. A.
– Dalhousie University
Rauscher, Sarah – University of Toronto
Tuesday – All-Atom Simulations of Disordered
and Flexible Proteins
Raymond, Neil – University of Waterloo
Thursday – Exploring the Use of Rewriting
Systems in Coupled-Cluster Theory
Reid, Jolene – University of British Columbia
Friday – Quantitative Modeling Tools for
Prediction in Synthesis and Catalysis
Ren, Yi – University of British Columbia
Wednesday – Effects of pH on Ice Nucleation by Kaolinite
Romero-Montalvo, Eduardo – University of British Columbia
Roy, Pierre-Olivier
– Université de Montréal
Wednesday – A Dynamic Correlation Factor for
Multiconfiguration Density Functional Theory
Scheiber, Hayden – University of British Columbia
Monday – DFT Analysis of the Relative
Stability of Lithium Halide Crystal Structures
Seelam
Prabhakar, Preethi – University of
Lethbridge
Selvaraj, Gurudeeban – Concordia University
Sharma, Siddhant – Blue Marble Space Institute of Science
Shewaga, Silvija – Wilfrid Laurier University
Monday – Hydrogen Atom Transfer in Coinage
Metal Cluster Complexes: A Density Functional Theory Study
Shudipto
Amin, Kazi – University of
Calgary
Siahrostami, Samira – University of Calgary
Monday – Waste to an Asset, Synthesis of
Ammonia from Nitrate Reduction
Simine, Lena – McGill University
Monday – Modelling 2D Amorphous Materials:
The Curious Case of Monolayer Amorphous Carbon
Singh, Bimaldeep – University of Lethbridge
Soni, Abhishek – University of British Columbia
Sridhar
Dwadasi, Balarama – University of
Calgary
Takyi, Nathania – University of Lethbridge
Tatarchuk, Stephen W. – University of Guelph
Teruel, Natália – Université de Montréal
Voznyy, Oleksandr – University of Toronto Scarborough
Monday – Improving Lead Halide Perovskite
Stability Using Doping and Alloying
Wang, Ziheng – McGill University
Wang, Zhibo – University of Toronto
Thursday – Facet‐Oriented Coupling for
Quantum Dot Photodetectors
Weatherby, Joseph A. – Dalhousie University
Thursday – Benchmarking Free-Energy
Corrections in Molecular Crystals from Density-Functional Theory
Xiang, Jian – University of Calgary
Xibo, Feng – Dalhousie University
Monday – Cost-Efficient Modeling of
Polymorph- and Coformer-Dependent Solid-State Photoluminescence
Yen, Tzu-Ching – University of Toronto
Monday – Measurement optimization in the
Variational Quantum Eigensolver method of quantum computing
Monday – Vibronic and Spin-Orbit Vibronic
Hamiltonian Formalism for Axial Symmetries
Zhu, Xiaodan – McGill University