Dr Carla Verdi
Dr

Carla Verdi

Email: 
Phone: 
+61 7 336 52473

Background

Dr Verdi's research is in the field of computational materials physics. Her work employs first-principles or ab initio methods, complemented by machine learning techniques, to predict and understand physical properties of materials without relying on empirical models.

She received her doctorate in Materials from the University of Oxford in 2017. After working at the University of Oxford and the University of Vienna, Dr Verdi moved to the University of Sydney in 2023 as an ARC DECRA Fellow. In the same year she then joined UQ as a Lecturer in Condensed Matter Physics.

Her current research focuses on understanding the structural, optical and thermodynamic properties of atomic defects for applications in quantum technologies. She is also interested in studying the influence of atomic vibrations, defects, temperature and disorder on the intrinsic properties of various functional materials that can be exploited for novel technologies. Feel free to reach out to Dr Verdi if you are interested in simulating materials properties from first principles using supercomputers and exploring how this can help develop better materials.

Availability

Dr Carla Verdi is:
Available for supervision

Fields of research

Chemical Sciences Condensed matter modelling and density functional theory Condensed matter physics Macromolecular and materials chemistry Physical Sciences

Qualifications

  • Bachelor of Physics, Università degli Studi di Padova
  • Masters (Research) of Physics, Università degli Studi di Padova
  • Doctor of Philosophy of Materials, University of Oxford

Search Professor Carla Verdi’s works on UQ eSpace

31 works between 2014 and 2024
All (31) Journal Article (29) Book Chapter (2)

1 - 20 of 31 works

2024

Journal Article

Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles

Niu, Lu, Conquest, Oliver J., Verdi, Carla and Stampfl, Catherine (2024). Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles. Nanomaterials, 14 (20) 1659, 1659. doi: 10.3390/nano14201659

Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles

2024

Journal Article

Electron mobilities in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTaO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> : Role of phonon anharmonicity, mass renormalization, and disorder

Ranalli, Luigi, Verdi, Carla, Zacharias, Marios, Even, Jacky, Giustino, Feliciano and Franchini, Cesare (2024). Electron mobilities in SrTiO3 and KTaO3 : Role of phonon anharmonicity, mass renormalization, and disorder. Physical Review Materials, 8 (10) 104603. doi: 10.1103/physrevmaterials.8.104603

Electron mobilities in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTaO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> : Role of phonon anharmonicity, mass renormalization, and disorder

2024

Journal Article

End Cap Effect on Solution-Processable Deep Blue Lasing Materials with Low-Amplified Spontaneous Emission Thresholds

Sugai, Yoshiki, Rahane, Vijay P., Gale, Innes, Verdi, Carla, Ireland, Alexander R., Canola, Sofia, McGregor, Sarah K. M., Moore, Evan G., Jain, Nidhi, Namdas, Ebinazar B. and Lo, Shih-Chun (2024). End Cap Effect on Solution-Processable Deep Blue Lasing Materials with Low-Amplified Spontaneous Emission Thresholds. ACS Applied Materials & Interfaces, 16 (35), 46506-46515. doi: 10.1021/acsami.4c07286

End Cap Effect on Solution-Processable Deep Blue Lasing Materials with Low-Amplified Spontaneous Emission Thresholds

2023

Journal Article

Hard antiphase domain boundaries in strontium titanate: A comparison of Landau-Ginzburg-Devonshire and ab initio results

Tröster, A., Pils, J., Bruckner, F., Rychetsky, I., Verdi, C. and Schranz, W. (2023). Hard antiphase domain boundaries in strontium titanate: A comparison of Landau-Ginzburg-Devonshire and ab initio results. Physical Review B, 108 (14) 144108. doi: 10.1103/physrevb.108.144108

Hard antiphase domain boundaries in strontium titanate: A comparison of Landau-Ginzburg-Devonshire and ab initio results

2023

Journal Article

Machine learning density functionals from the random-phase approximation

Riemelmoser, Stefan, Verdi, Carla, Kaltak, Merzuk and Kresse, Georg (2023). Machine learning density functionals from the random-phase approximation. Journal of Chemical Theory and Computation, 19 (20), 7287-7299. doi: 10.1021/acs.jctc.3c00848

Machine learning density functionals from the random-phase approximation

2023

Journal Article

Proton transport in perfluorinated ionomer simulated by machine-learned interatomic potential

Jinnouchi, Ryosuke, Minami, Saori, Karsai, Ferenc, Verdi, Carla and Kresse, Georg (2023). Proton transport in perfluorinated ionomer simulated by machine-learned interatomic potential. Journal of Physical Chemistry Letters, 14 (14), 3581-3588. doi: 10.1021/acs.jpclett.3c00293

Proton transport in perfluorinated ionomer simulated by machine-learned interatomic potential

2023

Journal Article

Temperature-dependent anharmonic phonons in quantum paraelectric KTaO3 by first principles and machine-learned force fields

Ranalli, Luigi, Verdi, Carla, Monacelli, Lorenzo, Kresse, Georg, Calandra, Matteo and Franchini, Cesare (2023). Temperature-dependent anharmonic phonons in quantum paraelectric KTaO3 by first principles and machine-learned force fields. Advanced Quantum Technologies, 6 (4) 2200131, 1-7. doi: 10.1002/qute.202200131

Temperature-dependent anharmonic phonons in quantum paraelectric KTaO3 by first principles and machine-learned force fields

2023

Journal Article

Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory

Verdi, Carla, Ranalli, Luigi, Franchini, Cesare and Kresse, Georg (2023). Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory. Physical Review Materials, 7 (3) L030801. doi: 10.1103/PhysRevMaterials.7.L030801

Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory

2023

Journal Article

Combining machine learning and many-body calculations: coverage-dependent adsorption of CO on Rh(111)

Liu, Peitao, Wang, Jiantao, Avargues, Noah, Verdi, Carla, Singraber, Andreas, Karsai, Ferenc, Chen, Xing-Qiu and Kresse, Georg (2023). Combining machine learning and many-body calculations: coverage-dependent adsorption of CO on Rh(111). Physical Review Letters, 130 (7) 078001. doi: 10.1103/PhysRevLett.130.078001

Combining machine learning and many-body calculations: coverage-dependent adsorption of CO on Rh(111)

2022

Journal Article

Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method

Engel, Manuel, Miranda, Henrique, Chaput, Laurent, Togo, Atsushi, Verdi, Carla, Marsman, Martijn and Kresse, Georg (2022). Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method. Physical Review B, 106 (9) 094316. doi: 10.1103/PhysRevB.106.094316

Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method

2022

Journal Article

Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

Tröster, A., Verdi, C., Dellago, C., Rychetsky, I., Kresse, G. and Schranz, W. (2022). Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields. Physical Review Materials, 6 (9) 094408. doi: 10.1103/PhysRevMaterials.6.094408

Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

2022

Journal Article

Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement

Kandolf, Nikolaus, Verdi, Carla and Giustino, Feliciano (2022). Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement. Physical Review B, 105 (8) 085148. doi: 10.1103/PhysRevB.105.085148

Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement

2022

Journal Article

Phase transitions of zirconia: Machine-learned force fields beyond density functional theory

Liu, Peitao, Verdi, Carla, Karsai, Ferenc and Kresse, Georg (2022). Phase transitions of zirconia: Machine-learned force fields beyond density functional theory. Physical Review B, 105 (6) L060102. doi: 10.1103/PhysRevB.105.L060102

Phase transitions of zirconia: Machine-learned force fields beyond density functional theory

2021

Journal Article

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

Verdi, Carla, Karsai, Ferenc, Liu, Peitao, Jinnouchi, Ryosuke and Kresse, Georg (2021). Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials. npj Computational Materials, 7 (1) 156. doi: 10.1038/s41524-021-00630-5

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

2021

Journal Article

α-β phase transition of zirconium predicted by on-the-fly machine-learned force field

Liu, Peitao, Verdi, Carla, Karsai, Ferenc and Kresse, Georg (2021). α-β phase transition of zirconium predicted by on-the-fly machine-learned force field. Physical Review Materials, 5 (5) 053804. doi: 10.1103/PhysRevMaterials.5.053804

α-β phase transition of zirconium predicted by on-the-fly machine-learned force field

2021

Journal Article

First-principles hydration free energies of oxygenated species at water-platinum interfaces

Jinnouchi, Ryosuke, Karsai, Ferenc, Verdi, Carla and Kresse, Georg (2021). First-principles hydration free energies of oxygenated species at water-platinum interfaces. Journal of Chemical Physics, 154 (9) 094107. doi: 10.1063/5.0036097

First-principles hydration free energies of oxygenated species at water-platinum interfaces

2020

Journal Article

Electron-polaron dichotomy of charge carriers in perovskite oxides

Husanu, M. A., Vistoli, L., Verdi, C., Sander, A., Garcia, V., Rault, J., Bisti, F., Lev, L. L., Schmitt, T., Giustino, F., Mishchenko, A. S., Bibes, M. and Strocov, V. N. (2020). Electron-polaron dichotomy of charge carriers in perovskite oxides. Communications Physics, 3 (1) 62, 1-8. doi: 10.1038/s42005-020-0330-6

Electron-polaron dichotomy of charge carriers in perovskite oxides

2020

Journal Article

Descriptors representing two-and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials

Jinnouchi, Ryosuke, Karsai, Ferenc, Verdi, Carla, Asahi, Ryoji and Kresse, Georg (2020). Descriptors representing two-and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials. Journal of Chemical Physics, 152 (23) 234102, 1-9. doi: 10.1063/5.0009491

Descriptors representing two-and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials

2020

Book Chapter

Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach

Caruso, Fabio, Verdi, Carla and Giustino, Feliciano (2020). Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach. Handbook of materials modeling: methods: theory and modeling. (pp. 341-365) edited by Wanda Andreoni and Sidney Yip. Cham, Switzerland: Springer International Publishing. doi: 10.1007/978-3-319-44677-6_2

Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach

2019

Journal Article

Polarons from First Principles, without Supercells

Sio, Weng Hong, Verdi, Carla, Poncé, Samuel and Giustino, Feliciano (2019). Polarons from First Principles, without Supercells. Physical Review Letters, 122 (24) 246403, 1-6. doi: 10.1103/PhysRevLett.122.246403

Polarons from First Principles, without Supercells

Current funding

  • 2025 - 2030
    Queensland Quantum Decarbonisation Alliance
    Queensland Government Department of Environment, Science and Innovation
    Open grant
  • 2023 - 2026
    First-principles design of atomic defects for quantum technologies
    ARC Discovery Early Career Researcher Award
    Open grant

Availability

Dr Carla Verdi is:
Available for supervision

Before you email them, read our advice on how to contact a supervisor.

Available projects

  • Thermodynamic properties of atomic defects for quantum technologies

    Atomic defects in solids are one of the most promising single-photon sources or 'quantum emitters', an important building block for many quantum technologies. In order to design and engineer better quantum emitters, a fundamental understanding of their optical and electronic properties, as well as defect formation and migration, is essential. In this project, first-principles quantum mechanical calculations combined with machine-learning techniques are used in order to uncover key properties such as defect dynamics, formation mechanisms, free energies and stabilities at room and elevated temperatures. The theoretical insights gained in the project aim to inform the design of atomic defects systems for tailored applications as quantum emitters. The student will gain experience with high-performance computing and materials simulation methods, in particular first-principles methods and machine-learned potentials.

  • Atomistic modelling of solid surfaces and 2D structures

    Density functional theory (DFT) is a prominent tool that enables the simulation of materials and molecules at the atomic scale 'from first principles', i.e., without relying on empirical data. To underscore its importance in modern materials physics and beyond, it should suffice to mention that 12 papers on the top-100 list of the most-cited papers of all time, including 2 of the top 10, are all related to DFT. In this project, first-principles DFT calculations will be used to investigate and characterise the structural and electronic properties of 2D structures and solid surfaces. These properties can be directly compared to experimental data, such as scanning tunneling microscopy (STM) experiments conducted in SMP. Target systems include solvated molecules on alkali halide structures, perovskite materials for next-gen solar cells, and oxide structures on metal superconductors.

    The student will gain experience with widely used first-principles materials modelling software and high-performance computing.

Supervision history

Current supervision

  • Doctor Philosophy

    First principles calculations of defects in solids for quantum technologies

    Principal Advisor

    Other advisors: Professor Ben Powell

  • Doctor Philosophy

    Thermodynamic properties of atomic defects for quantum technologies

    Principal Advisor

    Other advisors: Professor Ben Powell

  • Doctor Philosophy

    New Methods for Strongly Correlated Electrons in Chemically Complex Materials

    Associate Advisor

    Other advisors: Professor Ben Powell

Enquiries

For media enquiries about Dr Carla Verdi's areas of expertise, story ideas and help finding experts, contact our Media team:

communications@uq.edu.au