Erik Fransson
Postdoc
joined 2021/09
office: Origo, R7113
orcid.org/0000000152623339
LinkedIn/erikfransson92a75015a
Google Scholar/HLTSm0cAAAAJ
erikfr@chalmers.se
Research
Erik’s research is primarily concerned with modeling the atomic dynamics of materials and their impact on macroscopic properties. This includes the application and develoment of methods for the prediction of Xray and neutron scattering spectra. He is also strongly involved in the development of several of our software packages.
Education

2021: Doctorate in Physics; Chalmers University of Technology
Atomicscale investigation of interfacial structures in WCCo at finite temperatures
video of the defense 
2019: Licentiate in Physics; Chalmers University of Technology
Computational investigation of interface structure and composition in cemented carbides at finite temperatures 
2014: M.Sc. in Applied Physics; Chalmers University of Technology
Local and Global Ordering in Barium Zirconate, a Model Potential Study 
2012: B.Sc. in Applied Physics; Chalmers University of Technology
Magnetic and Chemical Contributions to Interface: A Monte Carlo Simulation Study
Publications

calorine: A Python package for constructing and sampling neuroevolution potential models Permalink
E. Lindgren, J. M. Rahm, E. Fransson, F. Eriksson, N. Österbacka, Z. Fan, and P. Erhart
Journal of Open Source Software 9, 6264 (2024) 
Understanding correlations in BaZrO_{3}: Structure and dynamics on the nanoscale Permalink
E. Fransson, P. Rosander, P. Erhart, and G. Wahnström
Chemistry of Materials 36, 514 (2024) 
Impact of Organic Spacers and Dimensionality on Templating of Halide Perovskites Permalink
E. Fransson, J. Wiktor, and P. Erhart
ACS Energy Letters 9, 3947 (2024) 
Construction and sampling of alloy cluster expansions  A tutorial Permalink
P. EkborgTanner, P. Rosander, E. Fransson, and P. Erhart
arXiv:2405.14787 (2024) 
Tuning the throughplane lattice thermal conductivity in vanderWaals structures through rotational (dis)ordering Permalink
F. Eriksson, E. Fransson, C. Linderälv, Z. Fan, and P. Erhart
ACS Nano 17, 25565 (2023) 
Revealing the free energy landscape of halide perovskites: Metastability and transition characters in CsPbBr_{3} and MAPbI_{3} Permalink
E. Fransson, J. M. Rahm, J. Wiktor, and P. Erhart
Chemistry of Materials 35, 8229 (2023) 
Quantifying Dynamic Tilting in Halide Perovskites: Chemical Trends and Local Correlations Permalink
J. Wiktor, E. Fransson, D. Kubicki, and P. Erhart
Chemistry of Materials 35, 6737 (2023) 
Phase transitions in inorganic halide perovskites from machinelearned potentials Permalink
E. Fransson, J. Wiktor, and P. Erhart
Journal of Physical Chemistry C 127, 13773 (2023) 
Limits of the phonon quasiparticle picture at the cubictotetragonal phase transition in halide perovskites Permalink
E. Fransson, P. Rosander, F. Eriksson, J. M. Rahm, T. Tadano, and P. Erhart
Communications Physics 6, 173 (2023) 
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) 
Extremely anisotropic van der Waals thermal conductors Permalink
S. E. Kim, F. Mujid, A. Rai, F. Eriksson, J. Suh, P. Poddar, A. Ray, C. Park, E. Fransson, Y. Zhong, D. A. Muller, P. Erhart, D. G. Cahill, and J. Park
Nature 597, 660 (2021) 
Efficient calculation of the lattice thermal conductivity by atomistic simulations with abinitio accuracy Permalink
J. Brorsson, A. Hashemi, Z. Fan, E. Fransson, F. Eriksson, T. AlaNissila, A. V. Krasheninnikov, H. Komsa, and P. Erhart
Advanced Theory and Simulations 4, 2100217 (2021) 
Dynasor  A tool for extracting dynamical structure factors and current correlation functions from molecular dynamics simulations Permalink
E. Fransson, M. Slabanja, P. Erhart, and G. Wahnström
Advanced Theory and Simulations 4, 2000240 (2021) 
A tale of two phase diagrams: Interplay of ordering and hydrogen uptake in PdAuH Permalink
J. M. Rahm, J. Löfgren, E. Fransson, and P. Erhart
Acta Materialia 211, 116893 (2021) 
Efficient construction of linear models in materials modeling and applications to force constant expansions Permalink
E. Fransson, F. Eriksson, and P. Erhart
npj Computational Materials 6, 135 (2020) 
Defects from phonons: Atomic transport by concerted motion in simple crystalline metals Permalink
E. Fransson and P. Erhart
Acta Materialia 196, 770 (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) 
Thermal conductivity in intermetallic clathrates: A firstprinciples perspective Permalink
D. O. Lindroth, J. Brorsson, E. Fransson, F. Eriksson, A. Palmqvist, and P. Erhart
Physical Review B 100, 19078 (2019) 
The hiphive package for the extraction of highorder force constants by machine learning Permalink
F. Eriksson, E. Fransson, and P. Erhart
Advanced Theory and Simulations 2, 1800184 (2019) 
Atomicrex  a general purpose tool for the construction of atomic interaction models Permalink
A. Stukowski, E. Fransson, M. Mock, and P. Erhart
Modelling and Simulation in Materials Science and Engineering 25, 23043 (2017)
Theses

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)