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Thomas A R Purcell

3PUBLICATIONS

29CO-AUTHORS

Formal methods for softwareNonlinear optics and spectroscopyModelling and simulation

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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

Frequent Collaborators

1 joint publications

Matthias Scheffler

1 joint publications

Luca M Ghiringhelli

1 joint publications

Maliheh Shaban Tameh

1 joint publications

Veaceslav Coropceanu

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