Dennis Russell Salahub
Affiliations: | 1976-1999 | Chemistry | Université de Montréal, Montréal, Canada |
| 2002- | University of Calgary, Calgary, Alberta, Canada |
Area:
theoretical chemistry, computational chemistry,Google:
"Dennis Salahub"Bio:
http://pubs.acs.org/doi/pdf/10.1021/ct700061e
Mean distance: 39813
Children
Sign in to add trainee| Alain St-Amant | grad student | 1992 | Université de Montréal (E-Tree) |
| Hélio Anderson Duarte | grad student | 1994-1997 | Université de Montréal |
| Jingang Guan | grad student | 2000 | Université de Montréal |
| Steeve Chretien | grad student | 2002 | Université de Montréal |
| Seongho Moon | grad student | 2003 | Université de Montréal |
| Elisa Fadda | grad student | 2004 | Université de Montréal |
| Martin Kaupp | post-doc | Université de Montréal | |
| Andreas M. Köster | post-doc | ||
| Shideh Ahmadi | post-doc | 2016-2018 | University of Calgary |
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Publications
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| Hostaš J, Pérez-Becerra KO, Calaminici P, et al. (2023) How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2. The Journal of Chemical Physics. 159 |
| Lourenço MP, Herrera LB, Hostaš J, et al. (2023) QMLMaterial─A Quantum Machine Learning Software for Material Design and Discovery. Journal of Chemical Theory and Computation |
| Lourenço MP, Hostaš J, Herrera LB, et al. (2022) GAMaterial-A genetic-algorithm software for material design and discovery. Journal of Computational Chemistry |
| Teale AM, Helgaker T, Savin A, et al. (2022) DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp |
| Lourenço MP, Herrera LB, Hostaš J, et al. (2022) Automatic structural elucidation of vacancies in materials by active learning. Physical Chemistry Chemical Physics : Pccp |
| Lourenço MP, Herrera LB, Hostaš J, et al. (2022) A new active learning approach for adsorbate-substrate structural elucidation in silico. Journal of Molecular Modeling. 28: 178 |
| Delesma FA, Delgado-Venegas RI, Salahub DR, et al. (2021) Self-Consistent Auxiliary Density Perturbation Theory. Journal of Chemical Theory and Computation. 17: 6934-6946 |
| de la Lande A, Alvarez-Ibarra A, Hasnaoui K, et al. (2019) Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland). 24 |
| Salahub DR, Noskov SY, Lev B, et al. (2015) QM/MM calculations with deMon2k. Molecules (Basel, Switzerland). 20: 4780-812 |
| De Oliveira C, Salahub DR, De Abreu HA, et al. (2014) Native defects in α-Mo2C: Insights from first-principles calculations Journal of Physical Chemistry C. 118: 25517-25524 |