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Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
The recent literature on near-term applications for quantum computers contains several examples of the applications of hybrid quantum/classical variational approaches. This methodology can be applied to a variety of optimization problems,…
Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we…
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…
The Variational Quantum Eigensolver approach to the electronic structure problem on a quantum computer involves measurement of the Hamiltonian expectation value. Formally, quantum mechanics allows one to measure all mutually commuting or…
In the last years, we have been witnessing a tremendous push to demonstrate that quantum computers can solve classically intractable problems. This effort, initially focused on the hardware, progressively included the simplification of the…
We explore the utilization of higher-order discretization techniques in optimizing the gate count needed for quantum computer based solutions of partial differential equations. To accomplish this, we present an efficient approach for…
The mapping of fermionic states onto qubit states, as well as the mapping of fermionic Hamiltonian into quantum gates enables us to simulate electronic systems with a quantum computer. Benefiting the understanding of many-body systems in…
Simulation of quantum many-body systems is a promising application of quantum computers. However, implementing the time-evolution operator as a quantum circuit efficiently on near-term devices with limited resources is challenging. Standard…
Understanding the intricate quantum spin dynamics of radical pair reactions is crucial for unraveling the underlying nature of chemical processes across diverse scientific domains. In this work, we leverage Trotterization to map coherent…
The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…
The Quantum Fourier transform (QFT) is a key ingredient in most quantum algorithms. We have compared various spin-based quantum computing schemes to implement the QFT from the point of view of their actual time-costs and the accuracy of the…
The implementation and practicality of quantum algorithms highly hinge on the quality of operations within a quantum processor. Therefore, including realistic error models in quantum computing simulation platforms is crucial for testing…
We study the problem of simulating the time evolution of a lattice Hamiltonian, where the qubits are laid out on a lattice and the Hamiltonian only includes geometrically local interactions (i.e., a qubit may only interact with qubits in…
To treat a problem with a Quantum Processing Unit (QPU), it must be transformed into a sequence of quantum operations, or gates: this is the quantum description of the problem. These operations are either packed into a query (i.e. quantum…
Circuit QED enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e., oscillator) operations are realizable only through optimal control theory (OCT) which is…
We report a first-of-its-kind analysis on post-Trotter simulation of U(1), SU(2) and SU(3) lattice gauge theories including fermions in arbitrary spatial dimension. We provide explicit circuit constructions as well as T-gate counts and…
We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…
Vibronic interactions between nuclear motion and electronic states are critical for the accurate modeling of photochemistry. However, accurate simulations of fully quantum non-adiabatic dynamics are often prohibitively expensive for…