Fredrik Eriksson

Research

Fredrik’s research concerned methods and models for describing the vibrational properties of solids. Specifically, he studied phonon-phonon scattering in relation to modeling thermal transport in materials. He was also the main developer of the hiphive package.

Education

• 2024: Doctorate in Physics; Chalmers University of Technology

• 2022: Licentiate in Physics; Chalmers University of Technology

• 2018: M.Sc. in Applied Physics; Chalmers University of Technology

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

Publications

• Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials Permalink
  P. Ying, W. Zhou, L. Svensson, E. Berger, E. Fransson, F. Eriksson, K. Xu, T. Liang, J. Xu, B. Song, S. Chen, P. Erhart, and Z. Fan
  Journal of Chemical Physics 162, 064109 (2025)
• Dynasor 2: From Simulation to Experiment Through Correlation Functions Permalink
  E. Berger, E. Fransson, F. Eriksson, E. Lindgren, G. Wahnström, T. H. Rod, and P. Erhart
  arXiv:2503.21957 (2025)
• Defect-assisted reversible phase transition in mono- and few-layer ReS₂ Permalink
  G. Zograf, A. B. Yankovich, B. Küçüköz, A. V. Agrawal, A. Y. Polyakov, J. Ciers, F. Eriksson, Å. Haglund, P. Erhart, T. J. Antosiewicz, E. Olsson, and T. O. Shegai
  npj 2D Materials and Applications 9, 3 (2025)
• 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)
• Tuning the through-plane lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering Permalink
  F. Eriksson, E. Fransson, C. Linderälv, Z. Fan, and P. Erhart
  ACS Nano 17, 25565 (2023)
• Limits of the phonon quasi-particle picture at the cubic-to-tetragonal 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)
• 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 ab-initio accuracy Permalink
  J. Brorsson, A. Hashemi, Z. Fan, E. Fransson, F. Eriksson, T. Ala-Nissila, A. V. Krasheninnikov, H. Komsa, and P. Erhart
  Advanced Theory and Simulations 4, 2100217 (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)
• Thermal conductivity in intermetallic clathrates: A first-principles 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 high-order force constants by machine learning Permalink
  F. Eriksson, E. Fransson, and P. Erhart
  Advanced Theory and Simulations 2, 1800184 (2019)

Theses

• Beyond Perturbation: Modeling Anharmonicity in Materials Permalink
  F. Eriksson, Doctoral Thesis (2024)
• Development and application of techniques for predicting and analysing phonon-derived materials properties Permalink
  F. Eriksson, Licentiate Thesis (2022)
• An efficient approach for extracting anharmonic force constants from atomistic simulations Permalink
  F. Eriksson, Master′s Thesis (2018)
• The battle between Energy and Entropy: Molecular Dynamics and Free Energies Permalink
  F. Eriksson, M. Kjelltoft, O. Larsson, and M. Svensson, Bachelor′s Thesis (2014)