Related papers: Quantum-selected configuration interaction with ti…
Quantum centric supercomputing (QCSC) framework, such as sample-based quantum diagonalization (SQD) holds immense promise toward achieving practical quantum utility to solve challenging problems. QCSC leverages quantum computers to perform…
Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…
We formulate a novel ground state quantum computation approach that requires no unitary evolution of qubits in time: the qubits are fixed in stationary states of the Hamiltonian. This formulation supplies a completely time-independent…
Methods of processing quantum data become more important as quantum computing devices improve their quality towards fault tolerant universal quantum computers. These methods include discrimination and filtering of quantum states given as an…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…
We propose a Hamiltonian-based quantum state preparation method implemented via a shallow parametrized quantum circuit. The approach learns the parameters of a diagonal Hamiltonian through a classical training phase, while the quantum…
An iterative version of the qubit coupled cluster (QCC) method [I.G. Ryabinkin et al., J. Chem. Theory Comput. 14, 6317 (2019)] is proposed. The new method seeks to find ground electronic energies of molecules on noisy intermediate-scale…
We describe in detail a full configuration interaction (CI) method designed to analyze systems of quantum dots. This method is capable of exploring large regions of parameter space, like more approximate approaches such as Heitler London…
Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
Quantum information has been drawing a wealth of research in recent years, shedding light on questions at the heart of quantum mechanics, as well as advancing fields such as complexity theory, cryptography, key distribution, and chemistry.…
In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
Selected configuration interaction (SCI) methods, when complemented with a second-order perturbative correction, provide near full configuration interaction (FCI) quality energies with only a small fraction of the Slater determinants of the…
We delve into the use of photonic quantum computing to simulate quantum mechanics and extend its application towards quantum field theory. We develop and prove a method that leverages this form of Continuous-Variable Quantum Computing…
Quantum dynamics of coherent states is studied within quantum field theory using two complementary methods: by organizing the evolution as a Taylor series in elapsed time and by perturbative expansion in coupling within the…
Proposals for solid state quantum computing are extremely promising as they can be used to built room temperature quantum computers. If such a quantum computer is ever built it would require in-built sources of nonclassical states required…
Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…