Fedor Naumkin, Ontario Tech University

Research

Computational modelling Functional nanosystems Intermolecular complexes Molecular assembly Molecular junctions and interfaces Structure-property relationships Supramolecular mechanochemistry

Latest papers

Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials.
The journal of physical chemistry. A · 2022
Zero- and high-pressure mechanisms in the complex forming reactions of OH with methanol and formaldehyde at low temperatures.
ACS earth & space chemistry · 2019 · first author
Non-adiabatic couplings and dynamics in proton transfer reactions of Hn (+) systems: Application to H2+H2 (+)→H+H3 (+) collisions.
The Journal of chemical physics · 2015 · senior author

All 3 publications

Latest funding

Highly polar supramolecular systems: enhanced IR-activity, ion-pair mediated chemistry and assembly
NSERC · 2018 · Principal investigator
$144,000
Design and Characterization of Hard and Soft Filled Cluster Cages
NSERC · 2007 · Principal investigator
$122,500

All 2 grants and awards

3 publications.

01

Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials.

Furman D, Naumkin F, Wales DJ

The journal of physical chemistry. A2022

DOI: 10.1021/acs.jpca.2c00834 PMID: 35389225

02

Zero- and high-pressure mechanisms in the complex forming reactions of OH with methanol and formaldehyde at low temperatures.

Naumkin F, Del Mazo-Sevillano P, Aguado A, Suleimanov YV, Roncero O

ACS earth & space chemistry2019First author

DOI: 10.1021/acsearthspacechem.9b00051 PMID: 31511842

03

Non-adiabatic couplings and dynamics in proton transfer reactions of Hn (+) systems: Application to H2+H2 (+)→H+H3 (+) collisions.

Sanz-Sanz C, Aguado A, Roncero O, Naumkin F

The Journal of chemical physics2015Senior author

DOI: 10.1063/1.4937138 PMID: 26696058

Highly polar supramolecular systems: enhanced IR-activity, ion-pair mediated chemistry and assembly

Principal investigatorNSERC2018Discovery Grants Program - Individual

Principal investigators: Naumkin, Fedor

Keywords: Computational modelling; Functional nanosystems; Intermolecular complexes; Molecular assembly; Molecular junctions and interfaces; Structure-property relationships; Supramolecular mechanochemistry

$144,000

Design and Characterization of Hard and Soft Filled Cluster Cages

Principal investigatorNSERC2007Discovery Grants Program - Individual

Principal investigators: Naumkin, Fedor

$122,500

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

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Paper to mention

Subject: Prospective PhD student: Computational modelling Dear Professor Naumkin, 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 "Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials." (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.] 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]

Fedor Naumkin