Peer-reviewed Publications and arXiv pre-prints:


Towards quantum-enhanced adversarial robustness in machine learning

Maxwell T. West, Shu-Lok Tsang, Jia Low, Charles Hill, Christopher Leckie, Lloyd Hollenberg, Sarah Erfani, Muhammad Usman 

Nature Machine Intelligence (2023)

The Conversation Article Summary Here

CSIRO Media Hub Blog Post Here

Benchmarking adversarially robust quantum machine learning at scale

Maxwell T. West, Sarah M. Erfani, Christopher Leckie, Martin Sevior, Lloyd Hollenberg, Muhammad Usman 

accepted for publication in Physical Review Research (2023);  arXiv

Boosted ensembles of qubit and continuous variable quantum support vector machines for B Meson flavour tagging

Maxwell T. West, Martin Sevior, Muhammad Usman 

submitted (2023);  arXiv

Improving semiconductor device modeling for electronic design automation by machine learning techniques

Zeheng Wang, Liang Li, Ross Leon, Jinlin Yang, Junjie Shi, Timothy Laan, Muhammad Usman

submitted (2023); arXiv

iQuantum: A case for modeling and simulation of quantum computing enviornments

Hoa T. Nguyen, Muhammad Usman, Rajkumar Buyya

accepted for publication in 2nd IEEE International Conference on Quantum Software (2023); arXiv

Automated quantum circuit design with nested monte carlo tree search

Peiyong Wang, Muhammad Usman, Lloyd C.L. Hollenberg, Casey Myers

accepted for publication in IEEE Transactions on Quantum Engineering (2023); arXiv

Real-time decoding for fault-tolerant quantum computing: progress, challenges and outlook

F. Battistel, C. Chamberland, K. Johar, R.W.J. Overwater, F. Sebastiano, L. Skoric, Y. Ueno, M. Usman 

submitted (2023);  arXiv


Hybrid quantum-classical generative adversarial network for high resolution image generation

Shu Lok Tsang, Maxwell T. West, Sarah M. Erfani, Muhammad Usman 

submitted (2022);  arXiv

Reflection equivariant quantum neural networks for enhanced image classification

Maxwell T. West, Martin Sevior, Muhammad Usman 

submitted (2022);  arXiv

Direct observation of narrow electronic energy band formation in 2D molecular self-assembly

Jack Hellerstedt, Marine Castelli, Anton Tadich, ..., Muhammad Usman, Agustin Schiffrin

Nanoscale Advances 4, 3845, (2022); DOI

Comparative analysis of error mitigation techniques for variational quantum eigensolver implementation on IBM quantum systems

Shaobo Zhang, Charles D. Hill, Muhammad Usman

submitted (2022); arXiv

Performance analysis of coreset selection for quantum implementation of K-Means clustering problem

Fanzhe Qu, Sarah M. Erfani, Muhammad Usman

submitted (2022); arXiv

QFaaS: a serverless function-as-a-service framework for quantum computing

Hoa T. Nguyen, Muhammad Usman, Rajkumar Buyya

submitted (2022); arXiv

Framework for donor qubit spatial metrology in silicon with depths approaching the bulk limit

Maxwell T. West, Muhammad Usman 

Physical Review Applied 17, 024070, (2022);

A fast and scalable artificial neural network syndrome decoder for surface codes 

Spiro Gicev, Lloyd Hollenberg, Muhammad Usman 

submitted (2022); arXiv

A silicon qubit platform for in situ single molecule structure determination

Viktor S. Perunicic, Muhammad Usman, Charles D. Hill, Lloyd C.L. Hollenberg 

submitted (2022); arXiv

    An exchange-based surface-code quantum computer in silicon

    Charles D. Hill, Muhammad Usman, Lloyd C.L. Hollenberg 

    submitted (2022); arXiv

Valley population of donor states in highly strained silicon

Benoit Voisin, Kevin Ng, Joe Salfi, Muhammad Usman, C. Wong, ..., Lloyd C.L. Hollenberg, Sven Rogge 

IOP Materials for Quantum Technology 2, 025002, (2022); arXiv    


Influence of momentum space features on scanning tunnelling microscope measurements

Maxwell T. West, Muhammad Usman 

Nanoscale (communications) 13, 16070, (2021); arXiv

Quantum computing: A taxonomy, systematic review and future directions

S. S. Gill, A. Kumar, H. Singh, M. Singh, K. Kaur, Muhammad Usman, Rajkumar Buyya

Wiley Software: Practice and Experience 52, 66-114, (2021); arXiv

    Long-range surface-assisted molecule-molecule hybridisation

    Marina Castelli, Jack Hellerstedt, Cornelius Krull, Spiro Gicev, Lloyd Hollenberg, Muhammad Usman, Agustin Schiffrin

    Small 17, 2005974, (2021); arXiv

    FLEET Press Release Article: Harnessing Socially-Distant Molecular-Interactions for Future Computing

    Recent progress in atomistic modelling and simulations of donor spin qubits in silicon

    Muhammad Usman

    (2020 Rising Stars, Elsevier) Computational Materials Science, 193, 110280, (2021)

    Bismuth-containing GaAs core-shell nanowires

    Muhammad Usman

    In proceedings of 2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2021 (DOI)



Tunable band-gap and isotropic light absorption from bismuth-containing GaAs core-shell and multi-shell nanowires 

Muhammad Usman 

Nanoscale, 12, 20973, (2020); arXiv

Pursuit Article: The Nanowires Building Greener Nanodevices


    Epitaxial growth of SiC on (100) Diamond

A. Tsai, A. Aghajamali, N. Dontschuk, B.C. Johnson, M. Usman, ..., L. Hollenberg, J.C. McCallum, S. Rubanov, A. Tadich, N.A. Marks, A. Stacey 

ACS Applied Electronic Materials 2, 2003, (2020); arXiv

    Highlighted with Journal Cover Page: Volume 2, Issue 7, July 28, 2020    

    Valley interference and spin exchange at the atomic scale in silicon

    Benoit Voisin+, Juanita Bocquel+, Archana Tankasala+, Muhammad Usman+, Joe Salfi, Rajib Rahman, Michelle Y. Simmons, Lloyd Hollenberg, Sven Rogge  

    (+These authors contributed equally) 

    Nature Communications 11, 6124 (2020); arXiv

    Press release: Researchers map electrons to move one step closer to better quantum computers

    Polarisation independent ground state optical transitions in closely stacked InAs/GaAs columnar quantum dots

    Muhammad Usman, (2020); arXiv

    Framework for atomic-level characterisation of quantum computer arrays by machine learning

    Muhammad Usman, Yi Z. Wong, Charles D. Hill, Lloyd C.L. Hollenberg, 

    (NPJ) Computational Materials 6, 19, (2020); arXiv   

    Pursuit Article: Machine learning to scale up the quantum computer

    Engineers Australia: 

    Australian Online News:


    Towards low-loss telecom-wavelength photonic devices by designing GaBiAs/GaAs core-shell nanowires

    Muhammad Usman, 

    (RSC) Nanoscale, 11, 20133 (2019); arXiv 

    Atomistic tight binding study of quantum confined Stark effect in GaBiAs/GaAs quantum wells

    Muhammad Usman 

    (IOP) J. Phys.:Condens. Matter. 31, 415503, (2019); arXiv

    Unusual band-gap bowing in highly mismatched ZnOS alloy: Atomistic tight-binding band anti-crossing model

    Saad M. Alqahtani, Muhammad Usman, Shaikh S. Ahmed

    Special Topic on Highly Mismatched Semiconductors Alloys: from Atoms to Devices. (AIP) J. of Applied Physics 125, 235704, (2019) 


    Measurements and atomistic theory of electron g factor anisotropy for phosphorus donors in strained silicon

    Muhammad Usman, Hans Huebl,  Andre Stegner, Charles D Hill, Martin S Brandt, Lloyd C.L. Hollenberg 

    (APS) Physical Review B 98, 035432, (2018); arXiv

    Impact of disorder on the optoelectronic properties of GaBiNAs alloys and heterostructures 

    Muhammad Usman, Christopher A. Broderick, and Eoin P. O'Reilly

    (APS) Physical Review Applied 10, 044024, (2018); arXiv

    Large-scale atomistic simulations demonstrate dominant alloy disorder effects in GaBiAs/GaAs multiple quantum wells

    Muhammad Usman 

    (APS) Physical Review Materials 2, 044602, (2018); arXiv

    Valley filtering and spatial maps of coupling between silicon donors and quantum dots

    Joe Salfi, Benoit Voisin, Archana Tankasala, Juanita Bocquel, Muhammad Usman, Michelle Y. Simmons, Lloyd C.L. Hollenberg,  Rajib Rahman, Sven Rogge 

    (APS) Physical Review X, 8, 031049, (2018); arXiv

    Two-electron states of a group V donor in silicon from atomistic full configuration interaction

    Archana Tankasala, Joe Salfi, Juanita Bocquel, Benoit Voisin, Muhammad Usman, Gerhard Klimeck, Michelle Y. Simmons, Lloyd C.L. Hollenberg, Sven Rogge, Rajib Rahman

    (APS) Physical Review B, 97, 195301, (2018); arXiv


    Towards visualisation of central-cell-effects in scanning-tunnelling-microscope images of subsurface dopant qubits in silicon    

    Muhammad Usman, Benoit Voisin, Joe Salfi, Sven Rogge, Lloyd C.L. Hollenberg 

    (RSC) Nanoscale 9, 17013, (2017); arXiv


    Spatial metrology of dopants in silicon with exact lattice site precision

    Muhammad Usman, Juanita Bocquel, Joe Salfi, Benoit Voisin, Archana Tankasala, Rajib Rahman, Michelle Y. Simmons, Sven Rogge, Lloyd C.L. Hollenberg 

    Nature Nanotechnology 11, 763-768, (2016); arXiv  [Highlighted by editor in TOC of Nature Nanotechnology September 2016 Issue]

    Related news articles at, Futurism, ScienceDaily, EurekAlert!, Bharattimes, newswise, nano, University of Melbourne Newsroom, UNSW News, Scimex, Technology, Opli


    Understanding electric field control of electronic and optical properties of strongly-coupled multi-layer quantum dot molecules     

    Muhammad Usman 

    (RSC) Nanoscale 7, 16516, (2015); arXiv

    Strain and electric field control of hyperfine interactions for donor spin qubits in silicon 

    Muhammad Usman, Charles D. Hill, Rajib Rahman, Gerhard Klimeck, Michelle Y. Simmons, Sven Rogge, Lloyd C.L. Hollenberg 

    (APS) Physical Review B 91, 245209, (2015); arXiv 

    Donor hyperfine Stark shift and the role of central-cell correction in tight-binding theory 

    Muhammad Usman, Rajib Rahman, Joe Salfi, Juanita Bocquel, Benoit Voisin, Sven Rogge, Gerhard Klimeck, Lloyd C.L. Hollenberg 

    INVITED Special Issue Article: (IOP) Journal of Physics: Condensed-Matter, 27, 154207, (2015); arXiv

    Link to the special issue (Single Dopants in Semiconductors) is here

    Multimillion-atom modeling of InAs/GaAs quantum dots: interplay of geometry, quantization, atomicity, strain, and linear and quadratic polarisation fields 

    Shaikh S. Ahmed, Sasi Sundaresan, Hoon Ryu, Muhammad Usman

    (Springer) Journal of Computational Electronics, Vol. 14, Issue 2, pp 543-556, (2015);

    Multimillion Atom Simulations of Electronic and Optical Properties of Nanoscale Devices using NEMO-3D 

    S. Ahmed, N. Kharche, R. Rahman, M. Usman, S. Lee, H. Ryu, H. Bae, ..., F. Saied, M. Korkusinski, R. Kennel, M. McLennan, T. Boykin, and G. Klimeck

    (Springer Berlin Heidelberg) Encyclopedia of Complexity and Systems Science, pp. 1-69, (2015). [DOI: 10.1007/978-3-642-27737-5_343-2]


    Electronic and optical properties of [110]-tilted InAs/GaAs quantum dot stacks 

    Muhammad Usman 

    Rapid Communications: (APS) Physical Review B, 89, 081302(R), (2014); arXiv

    Tuning of polarisation sensitivity in closely stacked trilayer InAs/GaAs quantum dots induced by overgrowth dynamics 

    Vittorianna Tasco*, Muhammad Usman*, Milena De Giorgi, Adriana Passaseo - (*Authors with equal contributions) 

    (IOP) Nanotechnology, 25, 055207, (2014); arXiv

    Anisotropic electron g-factor as a probe of the electronic structure of GaBiAs/GaAs epilayers 

    Christopher A. Broderick, Simone Mazzucato, Helene Carrere,Thierry Amand, ..., Muhammad Usman, Eoin P. O'Reilly, Xavier Marie 

    (APS) Physical Review B 90, 195301, (2014); arXiv 

    Atomistic tight-binding study of electronic structure and interband optical transitions in GaBiAs/GaAs quantum wells 

    Muhammad Usman and Eoin P. O'Reilly 

    (AIP) Applied Physics Letters, 104, 071103, (2014); arXiv 

    Electrically Injected GaAsBi Quantum Well Lasers 

    SJ Sweeney, IP Marko, SR Jin, K Hild, Z Batool, P Ludewig, ..., M Usman, PE Harnedy, EP OReilly, R Butkute, V Pacebutas, A Geiutis, A Krotkus 

    in proceedings of 24th International Semiconductor Laser Conference (ISLC), September 2014, Melia Palas Atenea, Palma de Mallorca, Spain.


    Impact of alloy disorder on the band structure of compressively strained GaBiAs 

    Muhammad Usman, Christopher A. Broderick, Zahida Batool, Konstanze Hild, Jeff Hosea, Stephen Sweeney, and Eoin P. O'Reilly 

    (APS) Physical Review B, 87, 115104, 2013; arXiv 

    Derivation of 12 and 14-band k.p Hamiltonians for dilute bismide and bismide-nitride semiconductors 

    Christopher A. Broderick, Muhammad Usman, and Eoin P. O'Reilly 

    (IOP) Semicond. Sci. Technol., 28, 125025, (2013); arXiv 

    12-band k.p model for dilute bismide alloys of (In)GaAs derived from supercell calculations 

    Christopher A. Broderick, Muhammad Usman, and Eoin P. O'Reilly 

    (INVITED PAPER @ E-MRS 2012)(Wiley) Physica Status Solidi (b) 250, 773-778, (2013); arXiv 

    Analysis of the influence of IJEEE on electrical engineering and electrical engineering education 

    Sadia Nawaz, Muhammad Usman, and Johannes Strobel 

    International Journal of Electrical Engineering Education (IJEEE), 50th Anniversary Special Issue, Vol. 50, No. 3, Pages: 316-340, 2013, Manchester University Press. 


    Band engineering in dilute nitride and bismide semiconductor Lasers 

    Christopher A. Broderick, Muhammad Usman, Stephen J. Sweeney, and Eoin P. O'Reilly 

    (INVITED REVIEW ARTICLE) (IOP) Semicond. Sci. Technol. 27, 094011 (2012); arXiv 

    Selected by IOP Editors as a highlighted research article of Year 2012:

    Polarisation response in InAs QDs: Theoretical correlation between composition and electronic properties 

    Muhammad Usman, Vittorianna Tasco, Maria T. Todaro, Melina D. Giorgi, Eoin P. O'Reilly, Gerhard Klimeck, Adriana Passaseo 

    (IOP) Nanotechnology 23, 165202, (2012); arXiv 

    Selected by the editor to be spotlighted on website: Quantum dot model analyses the influence of intermixing and segregation effects on polarization properties 

    Spotlighted in lab/fab talk on website: Multi-million atom simulations and polarisation measurements enable QD metrology

    Atomistic theoretical study of electronic and polarisation properties of single and vertically-stacked elliptical InAs quantum dots 

    Muhammad Usman 

    (APS) Physical Review B 86, 155444, (2012); arXiv 

    Theory of the electronic structure of dilute bismide and bismide-nitride alloys of GaAs: Tight-binding and k.p models 

    Muhammad Usman, Christopher A. Broderick, Eoin P. O'Reilly

    in proceedings of 31st International Conference on the Physics of Semiconductors (ICPS), July 29 - August 2012, ETH Zurich, Switzerland.

    Understanding polarisation properties of InAs QDs by atomistic modeling of growth dynamics 

    Vittorianna Tasco, Muhammad Usman, Maria T. Todaro, M. De Giorgi, and Adriana Passaseo 

    in proceedings of 31st International Conference on the Physics of Semiconductors (ICPS), July 29 - August 2012, ETH Zurich, Switzerland.


   Tight-binding analysis of the electronic structure of dilute bismide alloys of GaP and GaAs 

    Muhammad Usman, Christopher A. Broderick, Andrew Lindsay, and Eoin P. O'Reilly 

    (APS) Physical Review B 84, 245202 (2011); arXiv 

    Experimental and atomistic theoretical study of degree of polarisation from multilayer InAs/GaAs quantum dot stacks 

    Muhammad Usman, Tomoya Inoue, Yukihiro Harda, Gerhard Klimeck, and Takashi Kita 

    (APS) Physical Review B 84, 115321 (2011); arXiv 

    In-plane polarisation anisotropy of ground state optical intensity in InAs/GaAs quantum dots 

    Muhammad Usman 

    (AIP) Journal of Applied Physics 110, 094512, (2011) 

    Experimental and theoretical study of polarisation-dependent optical transitions in InAs quantum dots at telecommunication-wavelengths (1300-1500 nm) 

    Muhammad Usman, Susannah Heck, Edmund Clarke, Peter Spencer, Hoon Ryu, Ray Murray, Gerhard Klimeck 

    (AIP) J. of Applied Physics 109, 104510 (2011); arXiv 

    Quantitative excited state spectroscopy of a single InGaAs quantum dot molecule through multi-million-atom electronic structure calculations 

    Muhammad Usman*, Yui H.M. Tan*, Hoon Ryu, Sheikh Ahmed, Hubert J. Krenner, Timothy B. Boykin, Gerhard Klimeck - (*Authors with equal contributions) 

    (IOP) Nanotechnology 22, 315709 (2011); arXiv 

    Highlighted on nanotechweb as Editor's chioce: Supercomputers model real-world quantum dot devices atom-by-atom

    Tight Binding Analysis of the Electronic Structure of Dilute Bismide and Nitride Alloys of GaAs 

    Christopher A. Broderick, Muhammad Usman, Andrew Lindsay, and Eoin P. O'Reilly 

    in proceedings of 13th IEEE International Conference on Transparent Optical Networks (ICTON), June 26-30, (2011), KTH Stockholm, Sweden;

 2010 and earlier:

    Moving Toward Nano-TCAD Through Multimillion-Atom Quantum-Dot Simulations Matching Experimental Data     

    Muhammad Usman, Hoon Ryu, Insoo Woo, David Ebert, Gerhard Klimeck 

    IEEE Transactions on Nanotechnology, 8, 330, (2009); arXiv 

    Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D Part II: Applications 

    Gerhard Klimeck, Sheikh Ahmed, Neerav Kharche, Marek Korkusinski, Muhammad Usman, Marta Parda, and Timothy Boykin 

    (INVITED ARTICLE) IEEE Transactions on Electron Devices, Vol. 54, No. 9, 2090-2099, (2007) 

    Atomistic Simulation of Non-Degeneracy and Optical Polarisation Anisotropy in Pyramidal Quantum Dots 

    Sheikh Ahmed, Muhammad Usman, Rajib Rahman, Andrei Schliwa, Gerhard Klimeck 

    in Technical Proceedings of IEEE Nano/Micro Engineered and Molecular Systems (NEMS) 2008 

    A Tight Binding Study of Strain-Reduced Confinement Potentials in Identical and Non-Identical InAs/GaAs Vertically Stacked Quantum Dots 

    Muhammad Usman, Sheikh Ahmed, Gerhard Klimeck 

    in Technical Proceedings of IEEE Nanotechnology (NANO) 2008, Arlington TX 

    Quantum Confined Stark Effect in Biased InAs/GaAs Quantum Dots 

    Muhammad Usman, Hoon Ryu, Sunhee Lee, Yui M.H. Tan, and Gerhard Klimeck 

    in proceedings of 13th International Workshop on Computational Electronics (IWCE), Tsinghua University, Beijing, May 27-29 2009.

    Strain-engineered self-organised InAs/GaAs quantum dots for long wavelength applications 

    Muhammad Usman, Dragica Vasileska, and Gerhard Klimeck 

    in proceedings of ICPS 2008 (International Conference on the Physics of Semiconductors), Rio de Janeiro, Brazil, July 27-Aug 1, 2008.

    Symmetry Breaking and Fine Structure Splitting in Self-Assembled Zincblende Quantum Dots: Atomistic Simulations of Long-Range Strain and Piezoelectric Field 

    Shaikh Ahmed, Muhammad Usman, Clemens Heitzinger. Rajib Rahman, Andrei Schliwa, and Gerhard Klimeck 

    in proceedings of 28th International Conference on the Physics of Semiconductors, ICPS 2006, Vienna, Austria, July 24-28 2006, AIP Conference Proceedings Volume 893, pg 849.

    Strain and electronic structure interactions in realistically scaled quantum dot stacks 

    Muhammad Usman, Shaikh Ahmed, Marek Korkusinski, Clemens Heitzinger, and Gerhard Klimeck 

    in proceedings of 28th International Conference on the Physics of Semiconductors, ICPS 2006, Vienna, Austria, July 24-28 2006, AIP Conference Proceedings Volume 893, pg. 847.

    Performance analysis of adaptive source rate control (ASRC) algorithm for VoIP 

    Muhammad Usman and Noor M. Sheikh 

    in proceedings of IEEE TENCON 2005 conference Melbourne Australia, November 2005 Pages:1-7