ICET–a Python library for constructing and sampling alloy cluster expansions M Ångqvist, WA Muñoz, JM Rahm, E Fransson, C Durniak, P Rozyczko, ... Advanced Theory and Simulations 2 (7), 1900015, 2019 | 146 | 2019 |
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations Z Fan, Y Wang, P Ying, K Song, J Wang, Y Wang, Z Zeng, K Xu, ... The Journal of Chemical Physics 157 (11), 2022 | 104 | 2022 |
Beyond magic numbers: atomic scale equilibrium nanoparticle shapes for any size JM Rahm, P Erhart Nano Letters 17 (9), 5775-5781, 2017 | 98 | 2017 |
WulffPack: A Python package for Wulff constructions JM Rahm, P Erhart Journal of Open Source Software 5 (45), 1944, 2020 | 87 | 2020 |
A library of late transition metal alloy dielectric functions for nanophotonic applications JM Rahm, C Tiburski, TP Rossi, FAA Nugroho, S Nilsson, C Langhammer, ... Advanced Functional Materials 30 (35), 2002122, 2020 | 35 | 2020 |
Non‐bonded radii of the atoms under compression M Rahm, M Ångqvist, JM Rahm, P Erhart, R Cammi ChemPhysChem 21 (21), 2441-2453, 2020 | 27 | 2020 |
Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites E Fransson, P Rosander, F Eriksson, JM Rahm, T Tadano, P Erhart Communications Physics 6 (1), 173, 2023 | 25* | 2023 |
Understanding chemical ordering in bimetallic nanoparticles from atomic-scale simulations: The competition between bulk, surface, and strain JM Rahm, P Erhart The Journal of Physical Chemistry C 122 (49), 28439-28445, 2018 | 25 | 2018 |
A tale of two phase diagrams: Interplay of ordering and hydrogen uptake in Pd–Au–H JM Rahm, J Löfgren, E Fransson, P Erhart Acta Materialia 211, 116893, 2021 | 19 | 2021 |
Structurally driven asymmetric miscibility in the phase diagram of W-Ti M Ångqvist, JM Rahm, L Gharaee, P Erhart Physical Review Materials 3 (7), 073605, 2019 | 19 | 2019 |
Computational design of alloy nanostructures for optical sensing of hydrogen P Ekborg-Tanner, JM Rahm, V Rosendal, M Bancerek, TP Rossi, ... ACS Applied Nano Materials 5 (8), 10225-10236, 2022 | 10 | 2022 |
Computational assessment of the efficacy of halides as shape-directing agents in nanoparticle growth J Löfgren, JM Rahm, J Brorsson, P Erhart Physical Review Materials 4 (9), 096001, 2020 | 7 | 2020 |
Quantitative predictions of thermodynamic hysteresis: Temperature-dependent character of the phase transition in Pd–H JM Rahm, J Löfgren, P Erhart Acta Materialia 227, 117697, 2022 | 6 | 2022 |
Revealing the Free Energy Landscape of Halide Perovskites: Metastability and Transition Characters in CsPbBr3 and MAPbI3 E Fransson, JM Rahm, J Wiktor, P Erhart Chemistry of Materials 35 (19), 8229-8238, 2023 | 4 | 2023 |
High-throughput characterization of transition metal dichalcogenide alloys: thermodynamic stability and electronic band alignment C Linderälv, JM Rahm, P Erhart Chemistry of Materials 34 (21), 9364-9372, 2022 | 3 | 2022 |
calorine: A Python package for constructing and sampling neuroevolution potential models E Lindgren, M Rahm, E Fransson, F Eriksson, N Österbacka, Z Fan, ... Journal of Open Source Software 9 (95), 6264, 2024 | 2 | 2024 |
The Wulff construction goes low-symmetry P Erhart, JM Rahm Nature Materials 22 (8), 941-942, 2023 | 2 | 2023 |
There Is an Alloy at the End of the Rainbow: Structure and Optical Properties from Bulk to Nano JM Rahm PQDT-Global, 2021 | 1 | 2021 |
Thermodynamics and Optical Response of Palladium-Gold Nanoparticles M Rahm | 1 | 2016 |
Compular Simulator: Automated Computational Screening of Battery Electrolytes R Andersson, F Årén, E Krutmeijer, L Cresto, JM Rahm, R Sörensen, ... Electrochemical Society Meeting Abstracts 244, 362-362, 2023 | | 2023 |