Gino DiLabio, University of British Columbia

Research

Atom-centered potentials Computational chemistry Density-Functional Theory Hartree-Fock Theory Molecular crystal structure prediction Radical enzymes Semi-empirical methods Small basis set methodologies

Latest papers

Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction.
Journal of chemical information and modeling · 2022

All 1 publications

Latest funding

Development of Fast and Accurate Computational Chemistry Methods based on Atom-Centred Potentials and their Application to Crystal Structure Prediction
NSERC · 2021 · Principal investigator
$116,000
Computational approaches towards the advancement of high temperature coatings
NSERC · 2017 · Principal investigator
$12,500
Computational approaches towards the advancement of high temperature coatings
NSERC · 2016 · Principal investigator
$25,000

All 4 grants and awards

1 publications.

01

Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction.

Tuca E, DiLabio G, Otero-de-la-Roza A

Journal of chemical information and modeling2022

DOI: 10.1021/acs.jcim.2c00656 PMID: 35980964

Development of Fast and Accurate Computational Chemistry Methods based on Atom-Centred Potentials and their Application to Crystal Structure Prediction

Principal investigatorNSERC2021Discovery Grants Program - Individual

Principal investigators: DiLabio, Gino

Keywords: hartree-fock theory; density-functional theory; semi-empirical methods; small basis set methodologies; atom-centered potentials; molecular crystal structure prediction; computational chemistry; radical enzymes

$116,000

Computational approaches towards the advancement of high temperature coatings

Principal investigatorNSERC2017Engage Plus Grants Program

Principal investigators: DiLabio, Gino

$12,500

Computational approaches towards the advancement of high temperature coatings

Principal investigatorNSERC2016Engage Grants Program

Principal investigators: DiLabio, Gino

$25,000

Radicals at Interfaces: Understanding and Exploiting the Physical Behaviour of Radicals on the Surfaces of Biological and Bulk Materials

Principal investigatorNSERC2015Discovery Grants Program - Individual

Principal investigators: Dilabio, Gino

$175,000

From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.

Write to this professor

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Applying for

Mention their NSERC grant from 2021

Subject: Prospective PhD student: Atom-centered potentials Dear Professor DiLabio, My name is [your name], and I am a [your current degree or role] at [your institution]. I am applying for a PhD position starting in [term and year]. I read your paper "Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction." (2022), and it connects closely to my own work on [your research topic]. [One or two sentences on what you did and what you learned.] I also saw your NSERC-funded project "Development of Fast and Accurate Computational Chemistry Methods based on Atom-Centred Potentials and their Application to Crystal Structure Prediction" (2021), and I would be glad to contribute to work in that direction. Are you accepting new PhD students for [term and year]? I have attached my CV and transcripts, and I would be glad to talk at a time that suits you. Thank you for your time. Kind regards, [your name]