Publications of Thomas Purcell
All genres
Journal Article (7)
2023
Journal Article
Purcell, Thomas, Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence.
2022
Journal Article
Foppa, Lucas, Thomas Purcell, , Matthias Scheffler and Luca M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites.
Journal Article
Purcell, Thomas, Matthias Scheffler, Christian Carbogno and Luca M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach.
2021
Journal Article
Fawzi Roberto Mohamed, , , , Markus Scheidgen, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , Thomas Purcell, , , Matthias Scheffler, Daniel Speckhard, , , , , , and : , , , , , , , , , , OPTIMADE, an API for exchanging materials data.
2020
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity measure for materials.
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: FHI-vibes: Ab Initio Vibrational Simulations.
2019
Journal Article
Lenz, Maja-Olivia, Thomas Purcell, , , Matthias Scheffler and Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
Talk (1)
2021
Talk
Purcell, Thomas: Machine-Learning Aided Approaches.
(Workshop, Capturing Anharmonic Vibrational Motion in First-Principles Simulations, Centre Européen de Calcul Atomique et Moléculaire (CECAM), Online Event, Dec 2021).
Working Paper (3)
2023
Working Paper
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity in Thermal Insulators: An Analysis from First Principles.
2022
Working Paper
Purcell, Thomas, Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Accelerating Materials-Space Exploration by Mapping Materials Properties via Artificial Intelligence: The Case of the Lattice Thermal Conductivity.
2021
Working Paper
Matthias Scheffler, Thomas Purcell, , and : , Interpretable Machine Learning for Materials Design.