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メンバー

Special Postdoctoral Researcher

Bo Thomsen

EDUCATION
2014
Ph.D (Chemistry) Aarhus University, Denmark
2011
M. Sc. (Chemistry) Aarhus University, Denmark
2008
B. Sc. (Chemistry) Aarhus University, Denmark
RESEARCH AND TEACHING EXPERIENCES
2016-present
Special Postdoctoral Researcher, RIKEN Theoretical Molecular Science Laboratory, Japan
2014-2016
Postdoctoral Researcher, RIKEN Theoretical Molecular Science Laboratory, Japan
AWARDS AND GRANTS
2015
Best posters of the conference, International Congress of Quantum Chemistry, Beijing, China
PROFESSIONAL AFFILIATIONS
The Danish Chemical Society
American Chemical Society
RESEARCH PROJECTS
  1. Reaction mechanism of Cytochrome c Oxidase
  2. Vibrational structure theory for large scale systems
  3. Theoretical modeling of water in polymer membrane
PUBLICATIONS
  1. Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm.

    B. Thomsen, M. B. Hansen, P. Seidler, and O. Christiansen.
    J. Chem. Phys., 136, 124101 (2012).

  2. Tensor Decomposition and Vibrational Coupled Cluster Theory.

    I. H. Godtliebsen, B. Thomsen, and O. Christiansen.
    J. Phys. Chem. A, 117, 7267-7279 (2013).

  3. Optimized coordinates in vibrational coupled cluster calculations.

    B. Thomsen, K. Yagi, and O. Christiansen.
    J. Chem. Phys., 140, 154102 (2014).

  4. A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations.

    B. Thomsen, K. Yagi, and O. Christiansen.
    Chem. Phys. Lett., 610-611, 288-297 (2014).

  5. Infrared Spectra of Protonated Water Clusters, H+(H2O)4, in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory

    K. Yagi, and B. Thomsen.
    J. Phys. Chem. A, 121, 2386–2398 (2017).

  6. Weight-Averaged Anharmonic Vibrational Analysis of Hydration Structures of Polyamide 6

    B. Thomsen, T. Kawakami, I. Shigemoto, Y. Sugita, and K. Yagi.
    J. Phys. Chem. B, 121, 6050-6063 (2017).

  7. Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach

    E. L. Klinting, B. Thomsen, I. H. Godtliebsen, O. Christiansen.
    J. Chem. Phys., 148, 064113 (2018).

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