Thomas A. R. Purcell

OPTIMADE, an API for exchanging materials data

Casper Welzel Andersen, Rickard Armiento, Evgeny Blokhin et al. · Repository KITopen (Karlsruhe Institute of Technology) · 2021 · 91 citations · Full text

Computing, Materials Engineering, Materials Science +17

Anharmonicity measure for materials

Florian Knoop, Thomas A. R. Purcell, Matthias Scheffler et al. · Physical Review Materials · 2020 · 87 citations · Full text

Natural Sciences, Materials Science, Physics +15

Recent advances in the SISSO method and their implementation in the SISSO++ code

Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli · The Journal of Chemical Physics · 2023 · 46 citations · Full text

Computing, Computer Science, Algorithms +11

Anharmonicity in Thermal Insulators: An Analysis from First Principles

Florian Knoop, Thomas A. R. Purcell, Matthias Scheffler et al. · Physical Review Letters · 2023 · 42 citations · Full text

Natural Sciences, Materials Science, Physics +13

Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence

Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli et al. · npj Computational Materials · 2023 · 36 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +16