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Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…
Simulating the real-time dynamics of lattice gauge theories, underlying the Standard Model of particle physics, is a notoriously difficult problem where quantum simulators can provide a practical advantage over classical approaches. In this…
We consider the question of how correlated the system hardness is between classical algorithms of electronic structure theory in ground state estimation and quantum algorithms. To define the system hardness for classical algorithms we…
With a focus on universal quantum computing for quantum simulation, and through the example of lattice gauge theories, we introduce rather general quantum algorithms that can efficiently simulate certain classes of interactions consisting…
We present a quantum simulation framework universally applicable to a wide class of quantum systems, including quantum field theories such as quantum chromodynamics (QCD). Specifically, we generalize an efficient quantum simulation protocol…
We numerically analyze the feasibility of a platform-neutral, general strategy to perform quantum simulations of fermionic lattice field theories under open boundary conditions. The digital quantum simulator requires solely one- and…
Long-distance quantum optical communications usually require efficient wave-mixing processes to convert the wavelengths of single photons. Many quantum applications based on electromagnetically induced transparency (EIT) have been proposed…
The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…
Compressible models extend the domain of simulable systems in quantum computers, but little is known about their precise limits of applicability. Using the theory of compressible matchgate circuits, we identify a class of quadratic…
This study presents a novel optimisation technique for atomic structure calculations using the Flexible Atomic Code, focussing on complex multielectron systems relevant to $r$-process nucleosynthesis and kilonova modelling. We introduce a…
This paper introduces the Hamiltonian-Adaptive Ternary Tree (HATT) framework to compile optimized Fermion-to-qubit mapping for specific Fermionic Hamiltonians. In the simulation of Fermionic quantum systems, efficient Fermion-to-qubit…
Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…
Simulating large scale lattice dynamics directly is computationally demanding due to the high complexity involved, yet such simulations are crucial for understanding the mechanical and thermal properties of many physical systems. In this…
The Jordan-Wigner transformation establishes a duality between $su(2)$ and fermionic algebras. We present qualitative arguments and numerical evidence that when mapping spins to fermions, the transformation makes strong correlation weaker,…
First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic instead of quartic computational scaling…
Quantum computation has the potential to revolutionize quantum chemistry through major speedups to computation times and exponential reduction of computational resources. Here, we combine the symmetry-adapted Jordan-Wigner encoding based on…
We describe methods for simulating general second-quantized Hamiltonians using the compact encoding, in which qubit states encode only the occupied modes in physical occupation number basis states. These methods apply to second-quantized…
Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…
Transforming non-orthogonal bases into orthogonal ones often compromises essential properties or physical meaning in quantum systems. Here, we demonstrate that L\"owdin symmetric orthogonalization (LSO) outperforms the widely used…
Amplitude Estimation (AE) is a critical subroutine in many quantum algorithms, allowing for a quadratic speedup in various applications like those involving estimating statistics of various functions as in financial Monte Carlo simulations.…