Quasi-harmonic temperature dependent elastic constants: applications to silicon, aluminum, and silver C Malica, A Dal Corso Journal of Physics: Condensed Matter 32 (31), 315902, 2020 | 57 | 2020 |
Temperature-dependent atomic B factor: An ab initio calculation C Malica, A Dal Corso Acta Crystallographica Section A: Foundations and Advances 75 (4), 624-632, 2019 | 33 | 2019 |
Quasi-harmonic thermoelasticity of palladium, platinum, copper, and gold from first principles C Malica, A Dal Corso Journal of Physics: Condensed Matter 33 (47), 475901, 2021 | 30 | 2021 |
Temperature dependent elastic constants and thermodynamic properties of BAs: An ab initio investigation C Malica, A Dal Corso Journal of Applied Physics 127 (24), 2020 | 25 | 2020 |
Finite-temperature atomic relaxations: Effect on the temperature-dependent C44 elastic constants of Si and BAs C Malica, A Dal Corso The Journal of Chemical Physics 156 (19), 2022 | 6 | 2022 |
From ab-initio thermodynamics to quasi-harmonic thermoelastic properties of crystals: A new workflow and selected applications C Malica SISSA, 2021 | 3 | 2021 |
Accuracy of the Murnaghan equation compared with that of an exponential equation of state PT Wedepohl Journal of Physics D: Applied Physics 10 (1), 43, 1977 | 2 | 1977 |
Teaching oxidation states to neural networks C Malica, N Marzari arXiv preprint arXiv:2412.01652, 2024 | | 2024 |
Quasi-harmonic temperature dependent elastic constants from first principles C Malica, A Dal Corso APS March Meeting Abstracts 2021, P20. 009, 2021 | | 2021 |