Publications of Thomas Purcell

Journal Article (6)

2022
Journal Article
Foppa, Lucas, … Luca M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites.
Journal Article
Purcell, Thomas, … Luca M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach.
2021
Journal Article
Andersen, Casper W., … Xiaoyu Yang: OPTIMADE, an API for exchanging materials data.
2020
Journal Article
Knoop, Florian, … Christian Carbogno: Anharmonicity measure for materials.
Journal Article
Knoop, Florian, … Christian Carbogno: FHI-vibes: Ab Initio Vibrational Simulations.
2019
Journal Article
Lenz, Maja-Olivia, … Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.

Talk (1)

2021
Talk
Purcell, Thomas et al.: 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 (1)

2021
Working Paper
Dean, James, … Timur Bazhirov: Interpretable Machine Learning for Materials Design.
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