arXiv subjects

Ludmila Szulakowska

Publications and source records attributed to Ludmila Szulakowska.

7 recordsLinked to original sources

arXiv2026

Learning to Prepare Molecular Ground States with Transformer Models

Quantum state preparation is a key component of many quantum algorithms. Performing this step efficiently is essential for realizing practical quantum advantage in quantum chemistry applications. Iterative algorithms like ADAPT-VQE can produce shallow ground-state preparation circuits, but become computationally prohibitive for the larger molecules relevant to materials science and pharmaceutical development. Here, we introduce ADAPT-GQE, a generative AI framework that learns to synthesize ground-state preparation circuits for electronic structure calculations. We first use ADAPT-VQE to generate high-quality reference circuits, which are then used as targets for training models for circuit generation. Once trained, the model can efficiently propose and score circuits, enabling reinforcement learning (RL) to drive circuit generation accuracy beyond the accuracy of the ADAPT-VQE training data. This pipeline achieves order-of-magnitude reductions in circuit generation time relative to ADAPT-VQE while maintaining comparable or improved state-preparation accuracy. We demonstrate ADAPT-GQE on imipramine, a well-established tricyclic antidepressant that serves as a representative, challenging target for computational modelling in drug stability protocols. We execute generated circuits on Quantinuum Helios-1, representing a milestone for AI-generated quantum chemistry circuits on state-of-the-art quantum hardware. These results establish a pathway toward automated quantum circuit synthesis for utility-scale quantum computational chemistry.

quant-ph↗

arXiv2026

Split-Evolution Quantum Phase Estimation for Particle-Conserving Hamiltonians

We present a hardware demonstration and resource analysis of split-evolution quantum phase estimation (SE-QPE) on a Quantinuum System Model H2 quantum computer. SE-QPE is a modification to canonical QPE for particle-conserving Hamiltonians in which controlled time evolution is replaced by CSWAP-based interference between a target register and a reference register. For factorizations of time evolution with a shared eigenbasis, SE-QPE preserves the phase-register outcome distribution of canonical QPE and, unlike with compute--uncompute substitutions, it remains compatible with non-exact eigenstates. The substitution removes controlled-simulation overhead and enables parallel evolution on two registers, reducing the depth of each phase-kickback block. Resource analysis for Trotterized double-factorized chemistry Hamiltonians shows that the substitution becomes increasingly favorable at higher phase powers and combining QPE and SE-QPE implementations can be a useful option. Over a range of FeMoco active spaces, SE-QPE reduces time evolution resources, with asymptotic reductions of about 33% in CX count, 25% in $T$ count, and an asymptotic depth ratio of $3/N$ for CX layers. On Quantinuum H2-2, a four-qubit model ethylene demonstration with explicit inverse QFT and repeated phase-kickback steps up to 8 phase bits yields distinct energies and shows the auxiliary registers provide useful error detection filters.

quant-ph↗

arXiv2022

Bayesian autotuning of Hubbard model quantum simulators

Spins in gated semiconductor quantum dots (QDs) are a promising platform for Hubbard model simulation inaccessible to computation. Precise control of the tunnel couplings by tuning voltages on metallic gates is vital for a successful QD-based simulator. However, the number of tunable voltages and the complexity of the relationships between gate voltages and the parameters of the resulting Hubbard models quickly increase with the number of quantum dots. As a consequence, it is not known if and how a particular gate geometry yields a target Hubbard model. To solve this problem, we propose a hybrid machine-learning approach using a combination of support vector machines (SVMs) and Bayesian optimization (BO) to identify combinations of voltages that realize a desired Hubbard model. SVM constrains the space of voltages by rejecting voltage combinations producing potentials unsuitable for tight-binding (TB) approximation. The target voltage combinations are then identified by BO in the constrained subdomain. For large QD arrays, we propose a scalable efficient iterative procedure using our SVM-BO approach, which optimises voltage subsets and utilises a two-QD SVM model for large systems. Our results use experimental gate lithography images and accurate integrals calculated with linear combinations of harmonic orbitals to train the machine learning algorithms.

cond-mat.mes-hall↗

arXiv2021

Physics graduate student employment: what we can learn from professional social media

In this study, we investigated the employment status of recent University of Ottawa physics MSc and PhD graduates, finding that 94% of graduates are either employed or pursuing further physics education one year post-graduation. Our database was populated from the public online repository of MSc and PhD theses submitted between the academic years of 2011 to 2019, with employment information collected in 2020 from the professional social media platform LinkedIn. Our results highlight that graduates primarily find employment quickly and in their field of study, with most graduates employed in either academia or physics-related industries. We also found that a significant portion of employed graduates, 20%, find employment in non-traditional physics careers, such as business management and healthcare. Graduates with careers in academia tend to have lower online connectivity compared to graduates with careers in industry or non-traditional fields, suggesting a greater importance for online networking for students interested in non-academic careers.

physics.ed-ph↗

arXiv2020

Valley and spin polarized broken symmetry states of interacting electrons in gated MoS$_2$ quantum dots

Understanding strongly interacting electrons enables the design of materials, nanostructures and devices. Developing this understanding relies on the ability to tune and control electron-electron interactions by, e.g., confining electrons to atomically thin layers of 2D crystals with reduced screening. The interplay of strong interactions on a hexagonal lattice with two nonequivalent valleys, topological moments, and the Ising-like spin-orbit interaction gives rise to a variety of phases of matter corresponding to valley and spin polarized broken symmetry states. In this work we describe a highly tunable strongly interacting system of electrons laterally confined to monolayer transition metal dichalcogenide MoS$_2$ by metalic gates. We predict the existence of valley and spin polarized broken symmetry states tunable by the parabolic confining potential using exact diagonalization techniques for up to $N=6$ electrons. We find that the ground state is formed by one of two phases, either both spin and valley polarized or valley unpolarised but spin intervalley antiferromagnetic, which compete as a function of electronic shell spacing. This finding can be traced back to the combined effect of Ising-like spin-orbit coupling and weak intervalley exchange interaction. These results provide an explanation for interaction-driven symmetry-breaking effects in valley systems and highlight the important role of electron-electron interactions for designing valleytronic devices.

cond-mat.str-el↗

arXiv2019

The effect of valley, spin and band nesting on the electronic properties of gated quantum dots in a single layer of transition metal dichalcogenides (TMDCs)

We present here results of atomistic theory of electrons confined by metallic gates in a single layer of transition metal dichalcogenides. The electronic states are described by the tight-binding model and computed using a computational box including up to million atoms with periodic boundary conditions and parabolic confining potential due to external gates embedded in it. With this methodology applied to MoS2, we find a twofold degenerate energy spectrum of electrons confined in the two non-equivalent K-valleys by the metallic gates as well as six-fold degenerate spectrum associated with Q-valleys. We compare the electron spectrum with the energy levels of electrons confined in GaAs/GaAlAs and in self-assembled quantum dots. We discuss the role of spin splitting and topological moments on the K and Q valley electronic states in quantum dots with sizes comparable to experiment.

cond-mat.mes-hall↗

arXiv2018

Electronic structure, magnetoexcitons and valley polarized electron gas in 2D crystals

We describe here recent work on the electronic properties, magnetoexcitons and valley polarised electron gas in 2D crystals. Among 2D crystals, monolayer $MoS_2$ has attracted significant attention as a direct-gap 2D semiconductor analogue of graphene. The crystal structure of monolayer $MoS_2$ breaks inversion symmetry and results in K valley selection rules allowing to address individual valleys optically. Additionally, the band nesting near Q points is responsible for enhancing the optical response of $MoS_2$.We show that at low energies the electronic structure of $MoS_2$ is well approximated by the massive Dirac Fermion model. We focus on the effect of magnetic field on optical properties of $MoS_2$. We discuss the Landau level structure of massive Dirac fermions in the two non-equivalent valleys and resulting valley Zeeman splitting. The effects of electron-electron interaction on the valley Zeeman splitting and on the magneto-exciton spectrum are described. We show the changes in the absorption spectrum as the self-energy, electron-hole exchange and correlation effects are included. Finally, we describe the valley-polarised electron gas in $WS_2$ and its optical signature in finite magnetic fields.

cond-mat.mes-hall↗