Technological Platform High Performance Computing

  • 5000

    Belgium

Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Proteins Chemical Compounds
Molecules Chemical Compounds
Molecular dynamics Chemical Compounds
Zeolites Chemical Compounds
Computer simulation Chemical Compounds
simulation Physics & Astronomy
Carrier concentration Chemical Compounds
Atoms Chemical Compounds

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Projects 2011 2020

Research Output 1992 2017

The Role of Water in the Elastic Properties of Aluminosilicate Zeolites: DFT Investigation

Bryukhanov, I. A., Rybakov, A. A., Larin, A. V., Trubnikov, D. N. & Vercauteren, D. P. 1 Mar 2017 In : Journal of Molecular Modeling. 23, 3, 12 p., 68

Research output: Research - peer-reviewArticle

Zeolites
Discrete Fourier transforms
Elastic moduli
Water
aluminosilicate
field theory (physics)
closures
free energy
rings
profiles

Activities 2013 2017

  • 5 Participation in conference
  • 3 Visiting an external academic institution
  • 1 Invited talk

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes

Vercauteren, D. (Visiting researcher)
1 Feb 201730 Jul 2017

Activity: Visiting an external academic institution

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes

Vercauteren, D. (Visiting researcher)
May 2016

Activity: Visiting an external academic institution