On this page we compile supplementary information associated with our
publications. This includes for example relaxed structures, databases
of the computations, and input/output files. If you use any of these
data in your research please make sure to cite the original
publication.
2024
N. Xu, P. Rosander, C. Schäfer, E. Lindgren, N. Österbacka, M. Fang, W. Chen, Y. He, Z. Fan, and P. Erhart
Journal of Chemical Theory and Computation in press
(2024)
E. Lindgren, J. M. Rahm, E. Fransson, F. Eriksson, N. Österbacka, Z. Fan, and P. Erhart
Journal of Open Source Software 9, 6264
(2024)
E. Fransson, P. Rosander, P. Erhart, and G. Wahnström
Chemistry of Materials 36, 514
(2024)
2023
F. Eriksson, E. Fransson, C. Linderälv, Z. Fan, and P. Erhart
ACS Nano 17, 25565
(2023)
K. Song, R. Zhao, J. Liu, Y. Wang, E. Lindgren, Y. Wang, S. Chen, K. Xu, T. Liang, P. Ying, N. Xu, Z. Zhao, J. Shi, J. Wang, S. Lyu, Z. Zeng, S. Liang, H. Dong, L. Sun, Y. Chen, Z. Zhang, W. Guo, P. Qian, J. Sun, P. Erhart, T. Ala-Nissila, Y. Su, and Z. Fan
arXiv:2311.04732
(2023)
E. Fransson, J. M. Rahm, J. Wiktor, and P. Erhart
Chemistry of Materials 35, 8229
(2023)
E. Fransson, J. Wiktor, and P. Erhart
Journal of Physical Chemistry C 127, 13773
(2023)
E. Fransson, P. Rosander, F. Eriksson, J. M. Rahm, T. Tadano, and P. Erhart
Communications Physics 6, 173
(2023)
L. C. Nielsen, P. Erhart, M. Guizar-Sicairos, and M. Liebi
Acta Crystallographica A79, 515
(2023)
J. Wiktor, E. Fransson, D. Kubicki, and P. Erhart
Chemistry of Materials 35, 6737
(2023)
2022
C. Linderälv, J. M. Rahm, and P. Erhart
Chemistry of Materials 34, 9364
(2022)
2021
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)
P. Ekborg-Tanner and P. Erhart
Journal of Physical Chemistry C 125, 17248
(2021)
M. Fant, M. Ångqvist, A. Hellman, and P. Erhart
Angewandte Chemie - International Edition 60, 5132
(2021)
E. Fransson, M. Slabanja, P. Erhart, and G. Wahnström
Advanced Theory and Simulations 4, 2000240
(2021)
2020
T. P. Rossi, P. Erhart, and M. Kuisma
ACS Nano 14, 9963
(2020)
E. Fransson, F. Eriksson, and P. Erhart
npj Computational Materials 6, 135
(2020)
E. Fransson and P. Erhart
Acta Materialia 196, 770
(2020)
J. M. Rahm, C. Tiburski, T. P. Rossi, F. A. A. Nugroho, S. Nilsson, C. Langhammer, and P. Erhart
Advanced Functional Materials 30, 2002122
(2020)
J. M. Rahm and P. Erhart
Journal of Open Source Software 5, 1944
(2020)
2019
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)
T. P. Rossi, T. Shegai, P. Erhart, and T. J. Antosiewicz
Nature Communications 10, 3336
(2019)
F. Eriksson, E. Fransson, and P. Erhart
Advanced Theory and Simulations 2, 1800184
(2019)
2017
M. Ångqvist and P. Erhart
Chemistry of Materials 29, 7554
(2017)
J. M. Rahm and P. Erhart
Nano Letters 17, 5775
(2017)
A. H. Larsen, M. Kuisma, J. Löfgren, Y. Pouillon, P. Erhart, and P. Hyldgaard
Modelling and Simulation in Materials Science and Engineering 25, 27140
(2017)
A. Stukowski, E. Fransson, M. Mock, and P. Erhart
Modelling and Simulation in Materials Science and Engineering 25, 23043
(2017)
2016
M. Ångqvist, D. O. Lindroth, and P. Erhart
Chemistry of Materials 28, 6877
(2016)