Related papers: Quantum chemistry calculations on a trapped-ion qu…
We propose a hybrid variational quantum algorithm that has variational parameters used by both the quantum circuit and the subsequent classical optimization. Similar to the Variational Quantum Eigensolver (VQE), this algorithm applies a…
The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…
Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…
Tensor-Network (TN) states are efficient parametric representations of ground states of local quantum Hamiltonians extensively used in numerical simulations. Here we encode a TN ansatz state directly into a quantum simulator, which can…
The variational quantum eigensolver is a prominent hybrid quantum-classical algorithm expected to impact near-term quantum devices. They are usually based on a circuit ansatz consisting of parameterized single-qubit gates and fixed…
In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the…
The classical-quantum hybrid Variational Quantum Eigensolver algorithm is the most widely used approach in the Noisy Intermediate Scale Quantum era to obtain ground state energies of atomic and molecular systems. In this work, we extend the…
Accurate and scalable methods for computational quantum chemistry can accelerate research and development in many fields, ranging from drug discovery to advanced material design. Solving the electronic Schrodinger equation is the core…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on…
Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…
Quantum phase estimation is the workhorse behind any quantum algorithm and a promising method for determining ground state energies of strongly correlated quantum systems. Low-cost quantum phase estimation techniques make use of circuits…
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…
Accurately capturing electron correlation in large-scale molecular systems remains one of the foremost challenges in quantum chemistry and a primary driver for the development of quantum algorithms. Classical configuration-interaction…
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemistry. Continuum solvation models represent a good compromise…
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…
A recently proposed variational quantum algorithm has expanded the horizon of variational quantum computing to nonlinear physics and fluid dynamics. In this work, we probe the ability of such approaches to capture the ground state of the…
Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…
Quantum kernel methods leverage a kernel function computed by embedding input information into the Hilbert space of a quantum system. However, large Hilbert spaces can hinder generalization capability, and the scalability of quantum kernels…
Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…