Mattias Angqvist

Research

Mattias’ research was focused on the development and application of lattice Hamiltonians (alloy cluster expansions), in particular for thermoelectric materials.

Education

• 2020: Doctorate in Physics
  ; Chalmers University of Technology; video of the defense

• 2018: Licentiate in Physics; Chalmers University of Technology

• 2014: M.Sc. Applied Physics; Chalmers University of Technology

• 2012: B.Sc. Applied Physics; Chalmers University of Technology

Publications

• To every rule there is an exception: A rational extension of Loewenstein’s rule Permalink
  M. Fant, M. Ångqvist, A. Hellman, and P. Erhart
  Angewandte Chemie - International Edition 60, 5132 (2021)
• Modeling of vibrational and configurational degrees of freedom in hexagonal and cubic tungsten carbide at high temperatures Permalink
  M. Gren, E. Fransson, M. Ångqvist, P. Erhart, and G. Wahnström
  Physical Review Materials 5, 033804 (2021)
• Non-bonded Radii of the Atoms Under Compression Permalink
  M. Rahm, M. Ångqvist, J. M. Rahm, P. Erhart, and R. Cammi
  ChemPhysChem 21, 2441 (2020)
• icet - A Python library for constructing and sampling alloy cluster expansions Permalink
  M. Ångqvist, W. A. Muñoz, J. M. Rahm, E. Fransson, C. Durniak, P. Rozyczko, T. H. Rod, and P. Erhart
  Advanced Theory and Simulations 2, 1900015 (2019)
• Structurally driven asymmetric miscibility in the phase diagram of W–Ti Permalink
  M. Ångqvist, J. M. Rahm, L. Gharaee, and P. Erhart
  Physical Review Materials 3, 30597 (2019)
• Understanding chemical ordering in intermetallic clathrates from atomic scale simulations Permalink
  M. Ångqvist and P. Erhart
  Chemistry of Materials 29, 7554 (2017)
• Optimization of the Thermoelectric Power Factor: Coupling between Chemical Order and Transport Properties Permalink
  M. Ångqvist, D. O. Lindroth, and P. Erhart
  Chemistry of Materials 28, 6877 (2016)

Theses

• Atomic scale modeling of ordering phenomena Permalink
  M. Ångqvist, Doctoral Thesis (2020)
• Atomic scale modeling of ordering phenomena in inorganic clathrates Permalink
  M. Ångqvist, Licentiate Thesis (2018)
• Chemical ordering in inorganic clathrates and its effect on materials properties Permalink
  M. Ångqvist, Master′s Thesis (2014)
• Magnetic and Chemical Contributions to Interface: A Monte Carlo Simulation Study Permalink
  M. Ångqvist, E. Fransson, E. Jedvik, and J. Lövgren, Bachelor′s Thesis (2012)