Related papers: Quantum Simulation of Molecular Collisions in the …

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

We have shown that quantum systems on finite-dimensional Hilbert spaces are equivalent under local transformations. Using these transformations give rise to a gauge group that connects the hamiltonian operators associated with each quantum…

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

A Quantum Computer is a new type of computer which can efficiently solve complex problems such as prime factorization. A quantum computer threatens the security of public key encryption systems because these systems rely on the fact that…

The surface code is a promising candidate for fault-tolerant quantum computation, achieving a high threshold error rate with nearest-neighbor gates in two spatial dimensions. Here, through a series of numerical simulations, we investigate…

Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. To accommodate the diverse characteristics of quantum chemical systems,…

Large-scale quantum computation will only be achieved if experimentally implementable quantum error correction procedures are devised that can tolerate experimentally achievable error rates. We describe a quantum error correction procedure…

It is imperative that useful quantum computers be very difficult to simulate classically; otherwise classical computers could be used for the applications envisioned for the quantum ones. Perfect quantum computers are unarguably…

Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…

Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…

We analyse recently proposed physical implementations of a quantum computer based on polar molecules. A set of general requirements for a molecular system is presented, which would provide an optimal combination of quantum gate times,…

An overview of quantum-mechanical methods to generate cross-section data for electron collisions with atoms and molecules is presented. Particular emphasis is placed on the time-independent close-coupling approach, since it is particularly…

We present a low-space overhead simulation algorithm based on the truncated Dyson series for time-dependent quantum dynamics. This algorithm is applied to simulating time-independent Hamiltonians by transitioning to the interaction picture,…

Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…

Existing approaches to analogue quantum simulations of time-dependent quantum systems rely on perturbative corrections to quantum simulations of time-independent quantum systems. We overcome this restriction to perturbative treatments with…

In the recent years, numerous research advancements have extended the limit of classical simulation of quantum algorithms. Although, most of the state-of-the-art classical simulators are only limited to binary quantum systems, which…

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Representations of quantum computations are almost always based on a tensor product $\otimes$-structure. This coincides with what we are able to execute in our experiments, as well as what we observe in Nature, but it makes certain familiar…

We present a time-dependent quantum algorithm for nuclear inelastic scattering in the time-dependent basis function on qubits approach. This algorithm aims to quantum simulate a subset of the nuclear inelastic scattering problems that are…