Thomas A R Purcell
3PUBLICATIONS
29CO-AUTHORS
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Publications (3)
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|Jul 04, 2025
Atomate2: modular workflows for materials science.Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta
|Oct 28, 2024
Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons: A Message Passing Neural Network Approach.Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas A R Purcell
|Sep 18, 2023
Recent advances in the SISSO method and their implementation in the SISSO++ code.Thomas A R Purcell, Matthias Scheffler, Luca M Ghiringhelli
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Frequent Collaborators
1 joint publications
Matthias Scheffler
1 joint publications
Luca M Ghiringhelli
1 joint publications
Maliheh Shaban Tameh
1 joint publications
Veaceslav Coropceanu
1 joint publications
Jean-Luc Brédas
1 joint publications
Alex M Ganose
1 joint publications
Hrushikesh Sahasrabuddhe
1 joint publications
Tathagata Biswas
1 joint publications
Joana Bustamante
1 joint publications
Christina Ertural
