Irea Mosquera‐Lois

Thomas Young Centre — United Kingdom

Materials Science · Physical Sciences

11h-index733citations26works13.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Machine Learning in Materials Science(12), Perovskite Materials and Applications(7), Chalcogenide Semiconductor Thin Films(6), Advanced Semiconductor Detectors and Materials(4), Protein Structure and Dynamics(3)

Publications26 total

Dynamic Vacancy Levels in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mrow> <mml:mi>Cs</mml:mi> <mml:mi>Pb</mml:mi> <mml:mi>Cl</mml:mi> </mml:mrow> <mml:mn>3</mml:mn> </mml:msub> </mml:math> Obey Equilibrium Defect Thermodynamics
PRX Energy·2025· 2 citedOpen Access
Dynamic Vacancy Levels in CsPbCl3 Obey Equilibrium Defect Thermodynamics
arXiv (Cornell University)·2025Open Access
Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductors
Nature Reviews Chemistry·2025· 32 cited
Author response for "Point defect formation at finite temperatures with machine-learning force fields"
2025
Point defect formation at finite temperatures with machine learning force fields
Chemical Science·2025· 6 citedOpen Access
Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry
Chemical Society Reviews·2025· 20 citedOpen Access
Point defect formation at finite temperatures with machine learning force fields
arXiv (Cornell University)·2024· 1 citedOpen Access
Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductors
arXiv (Cornell University)·2024· 3 citedOpen Access
Publisher Correction: Tautomeric mixture coordination enables efficient lead-free perovskite LEDs
Nature·2024Open Access
Machine-learning structural reconstructions for accelerated point defect calculations
npj Computational Materials·2024· 30 citedOpen Access
doped: Python toolkit for robust and repeatable chargeddefect supercell calculations
The Journal of Open Source Software·2024· 59 citedOpen Access
Machine-learning structural reconstructions for accelerated point defect calculations
arXiv (Cornell University)·2024· 2 citedOpen Access
Tautomeric mixture coordination enables efficient lead-free perovskite LEDs
Nature·2023· 247 citedOpen Access
Imperfections are not 0 K: free energy of point defects in crystals
arXiv (Cornell University)·2023Open Access
Identifying the ground state structures of point defects in solids
npj Computational Materials·2023· 102 citedOpen Access
Tautomeric Mixture Coordination Enables Efficient Lead-Free Perovskite LEDs
2023Open Access
Imperfections are not 0 K: free energy of point defects in crystals
Chemical Society Reviews·2023· 44 citedOpen Access
Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles
Joule·2022· 38 citedOpen Access
ShakeNBreak: Navigating the defect configurationallandscape
The Journal of Open Source Software·2022· 54 citedOpen Access
Identifying the ground state structures of point defects in solids
arXiv (Cornell University)·2022· 2 citedOpen Access
page 1 of 2Next →

Frequent Co-authors

Aron Walsh(17), Seán R. Kavanagh(10), David O. Scanlon(5), Johan Klarbring(5), Lukas Pfeifer(4), Shaik M. Zakeeruddin(4), Alex M. Ganose(4), David Ferro‐Costas(4), Antonio Fernández‐Ramos(4), Dongyuan Han(3), Lorenzo Agosta(3), Ziang Zang(3), Bin Zhao(3), Lingmei Kong(3), Haizhou Lu(3), Virginia Carnevali(3), Jianchao Dong(3), Jianheng Zhou(3), Huiyu Ji(3), Yingguo Yang(3)