Publications by authors named "Pauline Colinet"

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The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting.
Frank Neese, Pauline Colinet, Bernardo DeSouza, Benjamin Helmich-Paris, Frank Wennmohs

J Phys Chem A· March 2025

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Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method.
Pauline Colinet, Frank Neese, Benjamin Helmich-Paris

J Comput Chem· January 2025

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Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite.
Raphaël Rullan, Pauline Colinet, Quentin Desdion, Stephan N Steinmann, Tangui Le Bahers

J Comput Chem· May 2024

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Reusable radiochromic hackmanite with gamma exposure memory.
Sami Vuori, Pauline Colinet, Juha-Pekka Lehtiö, Arnaud Lemiere, Isabella Norrbo

Mater Horiz· October 2022

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The structural origin of the efficient photochromism in natural minerals.
Pauline Colinet, Hannah Byron, Sami Vuori, Juha-Pekka Lehtiö, Pekka Laukkanen

Proc Natl Acad Sci U S A· June 2022

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OPTIMADE, an API for exchanging materials data.
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J Conduit, Shyam Dwaraknath, Pauline Colinet

Sci Data· August 2021

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Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization.
Antton Curutchet, Pauline Colinet, Carine Michel, Stephan N Steinmann, Tangui Le Bahers

Phys Chem Chem Phys· April 2020

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