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Frustrated spin-ice systems support emergent gauge fields and fractionalized quasiparticles that act as magnetic monopoles. Although artificial platforms have enabled their direct visualization, access to their quantum-coherent dynamics has…
Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…
It has been demonstrated that the critical point of the phase transition in scalar quantum field theory with a quartic interaction in one space dimension can be approximated via a Gaussian Effective Potential (GEP). We discuss how this…
Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…
We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…
Theoretical calculations of core electron binding energies are important for aiding the interpretation of experimental core level photoelectron spectra. In previous work, the $\Delta$-Self-Consistent-Field ($\Delta$-SCF) method based on…
We study the QCD scaling behavior of the small-angle Energy-Energy Correlator (EEC), focusing on the transition between its perturbative pre-confinement and non-perturbative post-confinement regimes. Applying the light-ray Operator Product…
Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…
We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…
Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large…
This study employs advanced phase-field modeling to investigate Si-based qubit MOSFETs, integrating electrostatics and quantum mechanical effects. We adopt a comprehensive modeling approach, utilizing full-wave treatment of the Schrodinger…
ADAPT-VQE stands out as a robust algorithm for constructing compact ans\"atze for molecular simulation. It enables to significantly reduce the circuit depth with respect to other methods, such as UCCSD, while achieving higher accuracy and…
We derive and implement analytic nuclear gradients and derivative couplings for a constrained Complete Active Space Self-Consistent Field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism,…
We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…
Quantum computing presents a promising avenue for solving complex problems, particularly in quantum chemistry, where it could accelerate the computation of molecular properties and excited states. This work focuses on hybrid…
Accuracy in neural PDE solvers often breaks down not because of limited expressivity, but due to poor optimisation caused by ill-conditioning, especially in multi-fidelity and stiff problems. We study this issue in Physics-Informed Extreme…
The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) provides a promising approach for simulating highly correlated quantum systems on quantum devices, as it strikes a balance between hardware…
The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…
Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…
Accurate modeling of sea ice dynamics is critical for predicting environmental variables and is important in applications such as navigating ice breaker ships. Research for both modeling and simulating sea ice dynamics is ongoing, with the…