Gino A. DiLabio
Affiliations: | Physics and Astronomy | University of Calgary, Calgary, Alberta, Canada | |
| 2014- | University of British Columbia, Okanagan |
Area:
Quantum Physics, Physical ChemistryWebsite:
http://chem.ok.ubc.ca/people/faculty.html#dilabioGoogle:
"Gino DiLabio"Bio:
https://sites.ualberta.ca/~gdilabio/group.html
https://scholar.google.ca/citations?user=alBpO9EAAAAJ&hl=en
https://ca.linkedin.com/in/gino-dilabio-56747341
Parents
Sign in to add mentor| Phillip A. Christiansen | grad student | 1993-1997 | Clarkson University (Chemistry Tree) |
| Keith U. Ingold | research scientist | (Chemistry Tree) |
Children
Sign in to add trainee| Erin R. Johnson | research assistant | 2001-2004 | (Chemistry Tree) |
| Viki Kumar Prasad | grad student | 2016-2020 | University of British Columbia, Okanagan (Chemistry Tree) |
| Alberto Otero de la Roza | post-doc | 2014-2017 | (Chemistry Tree) |
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Publications
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| Prasad VK, Pei Z, Edelmann S, et al. (2022) Correction to "BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials". Journal of Chemical Theory and Computation |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2022) Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered Potentials. Journal of Chemical Theory and Computation |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2022) Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree-Fock Methods Corrected with Atom-Centered Potentials. Journal of Chemical Theory and Computation. 18: 2208-2232 |
| Prasad VK, Pei Z, Edelmann S, et al. (2021) BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials. Journal of Chemical Theory and Computation |
| Prasad VK, Khalilian MH, Otero-de-la-Roza A, et al. (2021) BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds. Scientific Data. 8: 300 |
| Salamone M, Galeotti M, Romero-Montalvo E, et al. (2021) Bimodal Evans-Polanyi Relationships in Hydrogen Atom Transfer from C(sp)-H Bonds to the Cumyloxyl Radical. A Combined Time-Resolved Kinetic and Computational Study. Journal of the American Chemical Society |
| Otero-de-la-Roza A, DiLabio GA. (2020) Improved Basis-Set Incompleteness Potentials for Accurate DFT Calculations in Large Systems. Journal of Chemical Theory and Computation |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2019) PEPCONF, a diverse data set of peptide conformational energies. Scientific Data. 6: 180310 |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2017) Atom-Centered Potentials with Dispersion-Corrected Minimal Basis Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems. Journal of Chemical Theory and Computation |
| Otero-de-la-Roza A, DiLabio GA. (2017) Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory. Journal of Chemical Theory and Computation |