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Faraday Discussions
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September 21, 2019
Using spectroscopy to probe relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers
William Barford, John L A Gardner, Jonathan R Mannouch
Nature Computational Science
|
June 12, 2024
Data as the next challenge in atomistic machine learning
Chiheb Ben Mahmoud, John L A Gardner, Volker L Deringer
The Journal of Chemical Physics
|
April 1, 2023
How to validate machine-learned interatomic potentials
Joe D Morrow, John L A Gardner, Volker L Deringer
Chemical Communications (Cambridge, England)
|
September 5, 2023
Coarse-grained <i>versus</i> fully atomistic machine learning for zeolitic imidazolate frameworks
Zoé Faure Beaulieu, Thomas C Nicholas, John L A Gardner, et al.
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Nature Communications
|
August 18, 2025
An automated framework for exploring and learning potential-energy surfaces
Yuanbin Liu, Joe D Morrow, Christina Ertural, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Faraday Discussions
|
September 21, 2019
Using spectroscopy to probe relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers
William Barford, John L A Gardner, Jonathan R Mannouch
Nature Computational Science
|
June 12, 2024
Data as the next challenge in atomistic machine learning
Chiheb Ben Mahmoud, John L A Gardner, Volker L Deringer
The Journal of Chemical Physics
|
April 1, 2023
How to validate machine-learned interatomic potentials
Joe D Morrow, John L A Gardner, Volker L Deringer
Chemical Communications (Cambridge, England)
|
September 5, 2023
Coarse-grained <i>versus</i> fully atomistic machine learning for zeolitic imidazolate frameworks
Zoé Faure Beaulieu, Thomas C Nicholas, John L A Gardner, et al.
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Nature Communications
|
August 18, 2025
An automated framework for exploring and learning potential-energy surfaces
Yuanbin Liu, Joe D Morrow, Christina Ertural, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1