Publications of Thomas Purcell

Journal Article (10)

2023
Journal Article
Dean, James, Matthias Scheffler, Thomas Purcell, Sergey V. Barabash, Rahul Bhowmik and Timur Bazhirov: Interpretable Machine Learning for Materials Design.
MPG.PuRe
DOI
pre-print
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity in Thermal Insulators: An Analysis from First Principles.
MPG.PuRe
DOI
pre-print
publisher-version
Journal Article
Purcell, Thomas, Matthias Scheffler and Luca M. Ghiringhelli: Recent advances in the SISSO method and their implementation in the SISSO++ Code.
MPG.PuRe
DOI
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.
MPG.PuRe
DOI
publisher-version
2022
Journal Article
Foppa, Lucas, Thomas Purcell, Sergey V. Levchenko, Matthias Scheffler and Luca M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites.
MPG.PuRe
DOI
publisher-version
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.
MPG.PuRe
DOI
publisher-version
2021
Journal Article
Andersen, Casper W., Rickard Armiento, Evgeny Blokhin, Gareth J. Conduit, Shyam Dwaraknath, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Roberto Mohamed, Corey Oses, Giovanni Pizzi, Gian-Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Suleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K. Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J. Morris, Arash A. Mostofi, Kristin A. Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu and Xiaoyu Yang: OPTIMADE, an API for exchanging materials data.
MPG.PuRe
DOI
publisher-version
2020
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity measure for materials.
MPG.PuRe
DOI
pre-print
publisher-version
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: FHI-vibes: Ab Initio Vibrational Simulations.
MPG.PuRe
DOI
publisher-version
2019
Journal Article
Lenz, Maja-Olivia, Thomas Purcell, David Hicks, Stefano Curtarolo, Matthias Scheffler and Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
MPG.PuRe
DOI
pre-print
publisher-version

Talk (7)

2023
Talk
Purcell, Thomas: Recent Advances in the SISSO Method and Their Implementation in the SISSO++ Code.
(NOMAD Workshop on Data-centric Cruising for New and Novel Materials, Mechanisms, and Insights, Kiel, Germany, Sep 2023).
MPG.PuRe
Talk
Purcell, Thomas: Accelerating the High-Throughput Search for New Thermal Insulators.
(School on Artificial Intelligence for Materials Science in the Exascale Era , Calonge, Spain, May 2023).
MPG.PuRe
Talk
Purcell, Thomas: Symbolic Regression and Explainable AI.
(School on Artificial Intelligence for Materials Science in the Exascale Era, Calonge, Spain, May 2023).
MPG.PuRe
Talk
Purcell, Thomas: Accelerating the High-Throughput Search for New Thermal Insulators.
(CBC Special Departmental Seminar, University of Arizona, Tucson, AZ, USA, Jan 2023).
MPG.PuRe
2022
Talk
Purcell, Thomas: AI Accelerated Workflows for Finding Thermal Insulators.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
MPG.PuRe
Talk
Purcell, Thomas: Accelerating the High-Throughput Search for New Thermal Insulators With Symbolic Regression.
(Overcoming the Global Energy Crisis by Materials Research Regional Series III, Georgia Institute of Technology, Atlanta, GA, USA, Oct 2022).
MPG.PuRe
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).
MPG.PuRe
Web-View
Print Page
Open in new window
Estimated DIN-A4 page-width
Go to Editor View