Publications
Also on Google Scholar and arXiv.
A hardware-efficient variational ansatz with an exact diagonal metric for real- and imaginary-time evolution and Haar sampling
arXiv preprintpreprint
An n-qubit ansatz whose quantum geometric (Fubini–Study) metric is diagonal in closed form, so natural-gradient optimisation and variational time evolution need no costly metric measurements. Implemented in the QuantumSymmetry package.
Comment on 'On computing quantum waves exactly from classical action'
Submitted to Proceedings of the Royal Society A
A Comment showing that the exact classical-action construction of Lohmiller and Slotine omits the amplitude-curvature (quantum-potential) term of the Madelung-Bohm decomposition, so it reduces to the WKB/Van Vleck approximation, exact only in special cases (plane waves, the Coulomb problem) but not in general.
Symmetry-adapted qubit encoding with complete active space and Bravyi–Kitaev mapping for quantum chemistry on a quantum computer
arXiv preprintpreprint
Extends symmetry-adapted encodings with complete-active-space approximations and compatibility with the Bravyi–Kitaev mapping, enabling larger molecules on near-term hardware.
Periodic symmetry-adapted encoding: qubit reduction in crystalline electronic structure
arXiv preprintpreprint
Extends symmetry-adapted encoding from molecules to periodic solids, using space-group symmetries to save qubits in crystalline electronic-structure simulations.
Electron–molecule scattering via R-matrix variational algorithms on a quantum computer
Physical Review A 114, 012407
The first quantum-computing formulation of the R-matrix method for electron–molecule collisions: variational circuits recover the spectral information encoding R-matrix boundary amplitudes, demonstrated on electron scattering from H₂.
Pascal's pyramid and number projection operators for quantum computation
arXiv preprintpreprint
Explicit qubit operators that project onto fixed particle-number sectors under the Jordan–Wigner mapping, revealing a structure of generalised binomial coefficients visualised as a Pascal's pyramid.
The open-source Python package QuantumSymmetry: the water molecule on four qubits
IET Conference Proceedings CP861
Presents QuantumSymmetry, which takes a molecular geometry and basis set and automatically constructs symmetry-adapted qubit operators, demonstrated by simulating the water molecule on just four qubits.
Symmetry-adapted encodings for qubit number reduction by point-group and other Boolean symmetries
Quantum Science and Technology 8(3), 035026
Introduces symmetry-adapted encodings, which exploit a molecule's point-group and other Boolean symmetries to map its electronic structure onto fewer qubits; the paper behind QuantumSymmetry.
The Variational Quantum Eigensolver: a review of methods and best practices
Physics Reports 986, 1–128
A comprehensive review of the Variational Quantum Eigensolver, the leading near-term quantum algorithm for ground-state energies in chemistry and materials, covering its components, error sources and best practices.
PhD thesis
Qubits, Symmetry and Geometry: Quantum Algorithms for Molecular Physics. PhD thesis, University College London, 2025. UCL Discovery