All Announcements
26-04-2017: Fanwang Meng has been awarded a Dalley Fellowship. Congratulations Fanwang!
01-04-2017: Anand Patel has been awarded the NSERC CGS-M award.
10-03-2017: David Kim, Derrick Yang and Yilin Zhao have passed their comprehensive exams!
13-09-2016: Prof. Paul Ayers has been elected a member of the college of the Royal Society of Canada. Congratulations!
01-07-2016: Dr. Paul Johnson ofically starts as an Assistant Professor of Chemistry at Laval University!
21-06-2016: Derrick Yang transfers to Ph. D.
16-06-2016: Caitlin Lanssens successfully defended her M.Sc. (joint degree, McMaster/Ghent University).
26-04-2016: David Kim transfers to Ph.D.
22-03-2016: Yilin Zhao transfers to Ph.D.
03-03-2016: Farnaz Heidar-Zadeh won the Joint PhD Travel Funding from Ghent University for a 7-month stay at Ghent University, Belgium.
03-03-2016: Matthew Chan won the NSERC Michael Smith Foreign Study Supplements for a 6-month stay at Ghent University, Belgium.
23-02-2016: Stijn Fias won the Marie Skłodowska Curie Individual Global Fellowship (with a score of 96%) for "Conquering New Frontiers in Conceptual Density Functional Theory: Going Beyond the Single Slater Determinant".
23-09-2015: Yilin's first paper together with Corinne, Kasia, Paweł and Paul (open access)
Y Zhao, K Boguslawski, P Tecmer, C Duperrouzel, G Barcza, O Legeza and PW Ayers
Dissecting the bond-formation process of d10-metal–ethene complexes with multireference approaches,
Theoretical Chemistry Acocunts 134, 120 (2015)
23-08-2015: Perspective on orbital entanglement by Kasia and Paweł:
K Boguslawski, P Tecmer
Orbital entanglement in quantum chemistry,
International Journal of Quantum Chemistry 115, 1289-1295 (2015)
21-07-2015: New tool to analyze electron localization–delocalization matrices:
I Sumar, R Cook, PW Ayers, CF Matta,
AIMLDM: A program to generate and analyze electron localization–delocalization matrices (LDMs),
Computational and Theoretical Chemistry 1070, 55-67 (2015)
13-07-2015: Dr. Marco Franco won the CONACYT (National Council of Science and Technology of Mexico) postdoctoral fellowship.
13-07-2015: Chunying Rong won the National Natural Science Foundation of China Grant for "Developments of Density Functional Reactivity Theory with Insights from Information Theory"
13-06-2015: Farnaz Heidar-Zadeh won the 15th International Congress of Quantum Chemistry Poster Prize for her presentation on "How pervasive is the Hirshfeld partitioning?"
8-06-2015: Paul W. Ayers received the International Academy of Quantum Molecular Science Medal during the 15th International Congress of Quantum Chemistry
13-05-2015: Paul Ayers
University Scholar Recipient
30-04-2015: New geminal paper by Paweł, Kasia, and Paul:
P Tecmer, K Boguslawski, PW Ayers,
Singlet ground state actinide chemistry with geminals,
Physical Chemistry Chemical Physics 17 (22), 14427-14436 (2015)
13-04-2015: Paul, Kasia, Paweł, and Corinne won one of the 15 grants of the New Scientific Collaboration Support Program of the France Canada Research Fund (FCRF) 2015 together with the research group of
Valerie Vallet
18-03-2015: Corinne has won a NSERC Undergraduate Student Research Award fellowship for the summer of 2015. Congratulations Corinne!!!
26-2-2015: New CheMPS2 paper:
S Wouters, W Poelmans, S De Baerdemacker, PW Ayers, D Van Neck,
CheMPS2: Improved DMRG-SCF routine and correlation functions,
Computer Physics Communications 191, 235-237 (2015)
26-1-2015: The new paper of Farnaz and Paul is out:
F Heidar-Zadeh, PW Ayers,
How pervasive is the Hirshfeld partitioning?,
The Journal of Chemical Physics 142, 044107 (2015)
10-1-2015: Corinne's paper is finally out:
C Duperrouzel, P Tecmer, K Boguslawski, G Barcza, O Legeza, PW Ayers,
A Quantum Informational Approach for Dissecting Chemical Reactions,
Chemical Physics Letters 621, 160-164 (2015)
