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Ab initio wavefunction methods provide accurate molecular simulations but their computational scaling restricts applications to small systems. We develop a workflow combining quantum embedding to decompose a molecule into fragments with a…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
The simulation of strongly correlated fermionic systems remains one of the most significant challenges in computational physics due to the exponential growth of the Hilbert space and the fermionic sign problem. In this work, we present a…
Two formidable bottlenecks to the applicability of QMC include: (1) the sign problem and (2) algorithmic update inefficiencies. In this thesis, I overcome both these difficulties for a class of problems by extending the fermion bag approach…
We consider a hybrid digital-analog quantum computing approach, which allows implementing any quantum algorithm without standard two-qubit gates. This approach is based on the always-on interaction between qubits, which can provide an…
Simulating large electronic networks with vibrational environments remains a fundamental challenge due to the long lifetimes of electronic-vibrational (vibronic) excitations on the picosecond scale. Quantum computers are a promising…
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single…
For a system of spinless fermions in a disordered mesoscopic ring, interactions can give rise to an enhancement of the persistent current by orders of magnitude. The increase in the current is associated with a charge reorganization of the…
Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy…
The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian…
Variational compression can significantly lower implementation overheads for encoding the time evolution of Hamiltonians into quantum circuits. However, they usually lack global convergence guarantees and well-established scaling behavior.…
Quantum simulation of fermionic systems is a promising application of quantum computers, but in order to program them, we need to map fermionic states and operators to qubit states and quantum gates. While quantum processors may be built as…
First quantized, grid-based methods for chemistry modelling are a natural and elegant fit for quantum computers. However, it is infeasible to use today's quantum prototypes to explore the power of this approach, because it requires a…
Quantum computing applications in the noisy intermediate-scale quantum (NISQ) era require algorithms that can generate shallower circuits feasible for today's quantum systems. This is particularly challenging for quantum chemistry…
Certain aspects of some unitary quantum systems are well-described by evolution via a non-Hermitian effective Hamiltonian, as in the Wigner-Weisskopf theory for spontaneous decay. Conversely, any non-Hermitian Hamiltonian evolution can be…
We present a new primitive for quantum algorithms that implements a discrete Hermite transform efficiently, in time that depends logarithmically in both the dimension and the inverse of the allowable error. This transform, which maps basis…
Local Hamiltonians of fermionic systems on a lattice can be mapped onto local qubit Hamiltonians. Maintaining the locality of the operators comes at the expense of increasing the Hilbert space with auxiliary degrees of freedom. In order to…
We propose a hybrid quantum-classical method to investigate the equilibrium physics and the dynamics of strongly correlated fermionic models with spin-based quantum processors. Our proposal avoids the usual pitfalls of fermion-to-spin…
The physics of quantum mechanics is the inspiration for, and underlies, quantum computation. As such, one expects physical intuition to be highly influential in the understanding and design of many quantum algorithms, particularly…
The study of fermionic quantum field theories is an important problem for realizing the standard model of particle physics on a quantum computer. As a step towards this goal, we consider the massive Thirring and Gross--Neveu models with…