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Department of Chemistry anders.m.brakestad@uit.no TROM

Anders Brakestad


Doctoral Research Fellow, Theoretical and Computational Chemistry, Hylleraas Centre for Quantum Molecular Sciences

Job description

I am a PhD candidate jointly in the CHOCO group of Professor Kathrin H. Hopmann and the MRChem group of Professor Luca Frediani. My research involves large-scale benchmark studies, where we quantify basis set incompleteness errors in common computational protocols by comparing to highly precise CBS properties computed with the in-house code MRChem. I am also engaged in implementation of scalar relativistic effects in MRChem.


  • Vacher, Morgane; Brakestad, Anders; Karlsson, Hans O.; Fdez. Galván, Ignacio; Lindh, Roland. Dynamical Insights into the Decomposition of 1,2-Dioxetane. Journal of Chemical Theory and Computation 2017; Volum 13 (6). ISSN 1549-9618.s 2448 - 2457.s doi: 10.1021/acs.jctc.7b00198.
    • Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen. Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors. Journal of Chemical Physics 2021; Volum 154 (21). ISSN 0021-9606.s doi: 10.1063/5.0046023.
    • Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen. Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors. Journal of Chemical Physics 2021; Volum 154 (21). ISSN 0021-9606.s doi: 10.1063/5.0046023.
    • Brakestad, Anders; Jensen, Stig Rune; Wind, Peter; D'Alessandro, Marco; Genovese, Luigi; Hopmann, Kathrin Helen; Frediani, Luca. Static polarizabilities at the basis set limit: A benchmark of 124 species. Journal of Chemical Theory and Computation 2020; Volum 16. ISSN 1549-9618.s 4874 - 4882.s doi: 10.1021/acs.jctc.0c00128.
    • Vacher, Morgane; Brakestad, Anders; Karlsson, Hans O.; Fdez. Galván, Ignacio; Lindh, Roland. Dynamical Insights into the Decomposition of 1,2-Dioxetane. Journal of Chemical Theory and Computation 2017; Volum 13 (6). ISSN 1549-9618.s 2448 - 2457.s doi: 10.1021/acs.jctc.7b00198.
    Look at all works in CRIStin →


    Teaching

    Spring 2018: KJE6004 - Physical and inorganic chemistry for teachers

    • Problem solving during seminar groups
    • Supervision during computer lab on compurational chemistry
    • Corrected reports

    Fall 2018: KJE1001 -- Introduction to chemistry and chemical biology

    • Supervision during laboratory exercises
    • Corrected laboratory reports

    Fall 2019/2020: KJE1004 -- Introduction to inorganic chemistry

    • Problem solving during seminar groups
    • Corrected student essays and provide feedback