icet - A Python library for constructing and sampling alloy cluster expansions
Piotr Rozyczko , Mattias Ångqvist , Thomas Holm Rod , Paul Erhart
arXiv: Materials Science
82
2019
Modeling of vibrational and configurational degrees of freedom in hexagonal and cubic tungsten carbide at high temperatures
Mattias Ångqvist , Paul Erhart , Erik Fransson , Göran Wahnström
Physical Review Materials 5 ( 3) 033804
8
2021
Understanding Chemical Ordering in Intermetallic Clathrates from Atomic Scale Simulations
Mattias Ångqvist , Paul Erhart
Chemistry of Materials 29 ( 17) 7554 -7562
13
2017
Optimization of the Thermoelectric Power Factor: Coupling between Chemical Order and Transport Properties
Mattias Ångqvist , Daniel O. Lindroth , Paul Erhart
Chemistry of Materials 28 ( 19) 6877 -6885
13
2016
To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule.
Magnus Fant , Mattias Ångqvist , Anders Hellman , Paul Erhart
Angewandte Chemie 60 ( 10) 5132 -5135
1
2021
Non-Bonded Radii of the Atoms Under Compression.
Martin Rahm , Mattias Ångqvist , J. Magnus Rahm , Paul Erhart
ChemPhysChem 21 ( 21) 2441 -2453
4
2020
Structurally driven asymmetric miscibility in the phase diagram of W-Ti
Mattias Ångqvist , J. Magnus Rahm , Leili Gharaee , Paul Erhart
Physical Review Materials 3 ( 7) 073605
6
2019
The Van Der Waals Radii at High Pressure and the Atoms-Under-Pressure Database
Martin Rahm , Mattias Ångqvist , J Rahm , Paul Erhart
APS March Meeting Abstracts 2021 J19. 008 -J19. 008
2021
Magnetic and Chemical Contributions to Interface: A Monte Carlo Simulation Study
Mattias Ångqvist , Erik Fransson , Erik Jedvik , Johan Lövgren
Chalmers University of Technology
2012
Atomic scale modeling of ordering phenomena
Mattias Ångqvist
Chalmers Tekniska Hogskola (Sweden)
2020
Atomic scale modeling of ordering phenomena in inorganic clathrates
Mattias Ångqvist
Universidade Tecnica de Lisboa (Portugal)
2018