Publications of Thomas Purcell
All genres
Journal Article (6)
2023
Journal Article
130 (23), 236301 (2023)
Anharmonicity in Thermal Insulators: An Analysis from First Principles. Physical Review Letters
Journal Article
159 (11), 114110 (2023)
Recent advances in the SISSO method and their implementation in the SISSO++ Code. The Journal of Chemical Physics 2021
Journal Article
8, 217 (2021)
OPTIMADE, an API for exchanging materials data. Scientific Data 2020
Journal Article
4 (8), 083809 (2020)
Anharmonicity measure for materials. Physical Review Materials
Journal Article
5 (56), 2671 (2020)
FHI-vibes: Ab Initio Vibrational Simulations. The Journal of Open Source Software 2019
Journal Article
5, 123 (2019)
Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials