Fingerprint Dive into the research topics where Computational Chemical Physics is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.

  • Network Recent external collaboration on country level. Dive into details by clicking on the dots.

    Profiles

    No photo of W.J. Briels

    W.J. Briels

    Person: PNUT

    19892019
    No photo of M. Dash

    M. Dash

    Person: PNUT

    20162019
    No photo of C. Filippi

    C. Filippi

    Person: Academic

    20072019

    Research Output

    • 59 Article
    • 51 Poster
    • 8 PhD Thesis - Research UT, graduation UT
    • 2 Chapter

    Brownian dynamics investigation of the Boltzmann superposition principle for orthogonal superposition rheology

    Metri, V. & Briels, W. J., 4 Jan 2019, In : Journal of chemical physics. 150, 1, 014903.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
  • 2 Citations (Scopus)
    11 Downloads (Pure)

    Complex stress relaxations in soft matter studied by computational rheology

    Metri, V., 12 Apr 2019, Enschede: University of Twente. 148 p.

    Research output: ThesisPhD Thesis - Research UT, graduation UT

    Open Access
    File
  • 134 Downloads (Pure)

    Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries

    Dash, M., Feldt, J., Moroni, S., Scemama, A. & Filippi, C., 10 Sep 2019, In : Journal of chemical theory and computation. 15, 9, p. 4896-4906 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
  • 2 Citations (Scopus)
    7 Downloads (Pure)

    Activities

    • 7 Oral presentation
    • 6 Invited talk
    • 1 Organising a conference, workshop, ...

    Electronic Structure/Multiscale Modelling

    Claudia Filippi (Invited speaker)
    4 Feb 2019

    Activity: Talk or presentationInvited talk

    Segregation of granular particles by mass, radius and density in a horizontal rotating drum

    W.K. den Otter (Speaker), M.M.H.D. Arntz (Contributor), R.M. Boom (Contributor), H.H. Beeftink (Contributor), W.J. Briels (Contributor)
    10 Dec 2019

    Activity: Talk or presentationOral presentation

    Automated wave function generation for accurate excited states in quantum Monte Carlo

    Alice Cuzzocrea (Speaker)
    11 Dec 2018

    Activity: Talk or presentationOral presentation