Related papers: Classically Prepared, Quantumly Evolved: Hybrid Al…
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…
Classical simulation of quantum systems plays an important role in the study of many-body phenomena and in the benchmarking and verification of quantum technologies. Exact simulation is often limited to small systems because the dimension…
Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the…
We present an approach to simulating quantum computation based on a classical model that directly imitates discrete quantum systems. Qubits are represented as harmonic functions in a 2D vector space. Multiplication of qubit representations…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We present a hybrid classical/quantum algorithm for efficiently solving the eigenvalue problem of many-particle Hamiltonians on quantum computers with limited resources by splitting the workload between classical and quantum processors.…
Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…
We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…
We investigate the quantum algorithm of Babbush et al. (arXiv:2303.13012v3) for simulating coupled harmonic oscillators, which promises exponential speedups over classical methods. Focusing on linearly connected oscillator chains, we bridge…
Computations of chemical systems' equilibrium properties and non-equilibrium dynamics have been suspected of being a "killer app" for quantum computers. This review highlights the recent advancements of quantum algorithms tackling complex…
The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…
Constructing a classical mechanical system associated with a given quantum mechanical one, entails construction of a classical phase space and a corresponding Hamiltonian function from the available quantum structures and a notion of…
Classical dynamics is formulated as a Hamiltonian flow on phase space, while quantum mechanics is formulated as a unitary dynamics in Hilbert space. These different formulations have made it difficult to directly compare quantum and…
Optimal measurement is required to obtain the quantum and classical correlations of a quantum state, and the crucial difficulty is how to acquire the maximal information about one system by measuring the other part; in other words, getting…
Hybrid quantum-classical algorithms are central to much of the current research in quantum computing, particularly when considering the noisy intermediate-scale quantum (NISQ) era, with a number of experimental demonstrations having already…
This paper describes a novel approach to emulate a universal quantum computer with a wholly classical system, one that uses a signal of bounded duration and amplitude to represent an arbitrary quantum state. The signal may be of any…
This thesis explores hybrid algorithms that combine classical and quantum computing to enhance the performance of classical algorithms. Two approaches are studied: a hybrid search and sample optimization algorithm and a classical algorithm…
One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the…
We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…