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Journal of Computational Chemistry
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December 10, 2024
Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method
Pauline Colinet, Frank Neese, Benjamin Helmich-Paris
Journal of Computational Chemistry
|
December 26, 2023
Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite
Raphaël Rullan, Pauline Colinet, Quentin Desdion, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 21, 2020
Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization
Antton Curutchet, Pauline Colinet, Carine Michel, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
June 2, 2022
The structural origin of the efficient photochromism in natural minerals
Pauline Colinet, Hannah Byron, Sami Vuori, et al.
Materials Horizons
|
September 7, 2022
Reusable radiochromic hackmanite with gamma exposure memory
Sami Vuori, Pauline Colinet, Juha-Pekka Lehtiö, et al.
Scientific Data
|
August 13, 2021
OPTIMADE, an API for exchanging materials data
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
December 10, 2024
Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method
Pauline Colinet, Frank Neese, Benjamin Helmich-Paris
Journal of Computational Chemistry
|
December 26, 2023
Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite
Raphaël Rullan, Pauline Colinet, Quentin Desdion, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 21, 2020
Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization
Antton Curutchet, Pauline Colinet, Carine Michel, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
June 2, 2022
The structural origin of the efficient photochromism in natural minerals
Pauline Colinet, Hannah Byron, Sami Vuori, et al.
Materials Horizons
|
September 7, 2022
Reusable radiochromic hackmanite with gamma exposure memory
Sami Vuori, Pauline Colinet, Juha-Pekka Lehtiö, et al.
Scientific Data
|
August 13, 2021
OPTIMADE, an API for exchanging materials data
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, et al.
Page
of 1