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Irea Mosquera-Lois

Showing results (1-10 of 9) with videos related to

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Chemical Science|April 24, 2025
Point defect formation at finite temperatures with machine learning force fieldsIrea Mosquera-Lois, Johan Klarbring, Aron Walsh
Physical Chemistry Chemical Physics : PCCP|November 3, 2020
Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivativesIrea Mosquera-Lois, David Ferro-Costas, Antonio Fernández-Ramos
Journal of Cheminformatics|December 25, 2021
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acidsDavid Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
Journal of Cheminformatics|March 15, 2022
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acidsDavid Ferro-Costas, Irea Mosquera-Lois, Antonio Fernandez-Ramos
Chemical Society Reviews|August 11, 2023
Imperfections are not 0 K: free energy of point defects in crystalsIrea Mosquera-Lois, Seán R Kavanagh, Johan Klarbring, et al.
Nature Reviews. Chemistry|April 8, 2025
Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductorsIrea Mosquera-Lois, Yi-Teng Huang, Hugh Lohan, et al.
Nature|August 9, 2023
Tautomeric mixture coordination enables efficient lead-free perovskite LEDsDongyuan Han, Jie Wang, Lorenzo Agosta, et al.
Nature|July 24, 2024
Publisher Correction: Tautomeric mixture coordination enables efficient lead-free perovskite LEDsDongyuan Han, Jie Wang, Lorenzo Agosta, et al.
Chemical Society Reviews|April 25, 2025
Cross-disciplinary perspectives on the potential for artificial intelligence across chemistryAustin M Mroz, Annabel R Basford, Friedrich Hastedt, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Chemical Science|April 24, 2025
Point defect formation at finite temperatures with machine learning force fieldsIrea Mosquera-Lois, Johan Klarbring, Aron Walsh
Physical Chemistry Chemical Physics : PCCP|November 3, 2020
Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivativesIrea Mosquera-Lois, David Ferro-Costas, Antonio Fernández-Ramos
Journal of Cheminformatics|December 25, 2021
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acidsDavid Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
Journal of Cheminformatics|March 15, 2022
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acidsDavid Ferro-Costas, Irea Mosquera-Lois, Antonio Fernandez-Ramos
Chemical Society Reviews|August 11, 2023
Imperfections are not 0 K: free energy of point defects in crystalsIrea Mosquera-Lois, Seán R Kavanagh, Johan Klarbring, et al.
Nature Reviews. Chemistry|April 8, 2025
Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductorsIrea Mosquera-Lois, Yi-Teng Huang, Hugh Lohan, et al.
Nature|August 9, 2023
Tautomeric mixture coordination enables efficient lead-free perovskite LEDsDongyuan Han, Jie Wang, Lorenzo Agosta, et al.
Nature|July 24, 2024
Publisher Correction: Tautomeric mixture coordination enables efficient lead-free perovskite LEDsDongyuan Han, Jie Wang, Lorenzo Agosta, et al.
Chemical Society Reviews|April 25, 2025
Cross-disciplinary perspectives on the potential for artificial intelligence across chemistryAustin M Mroz, Annabel R Basford, Friedrich Hastedt, et al.
Pageof 1