Related papers: ChemiQ: A Chemistry Simulator for Quantum Computer
A quantum simulator is a device engineered to reproduce the properties of an ideal quantum model. It allows the study of quantum systems that cannot be efficiently simulated on classical computers. While a universal quantum computer is also…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in…
Quantum computing (QC) is a new paradigm offering the potential of exponential speedups over classical computing for certain computational problems. Each additional qubit doubles the size of the computational state space available to a QC…
While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the computation of energy derivatives. Almost all molecular…
Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…
Quantum computing is emerging as a promising technology, which is built on the principles of subatomic physics. By the time of writing, fully fledged practical quantum computers are not widely available. But research and development are…
Recent advances in quantum computers and simulators are steadily leading us towards full-scale quantum computing devices. Due to the fact that debugging is necessary to create any computing device, quantum tomography (QT) is a critical…
With the potential of quantum algorithms to solve intractable classical problems, quantum computing is rapidly evolving and more algorithms are being developed and optimized. Expressing these quantum algorithms using a high-level language…
Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…
Quantum computers are increasingly accessible, yet demonstrations of physically meaningful simulations for real materials remain scarce. In our work we simulate low-energy magnetic excitations, specifically spin-wave spectra, of chromium…
We present the quantum programming language cQPL which is an extended version of QPL [P. Selinger, Math. Struct. in Comp. Sci. 14(4):527-586, 2004]. It is capable of quantum communication and it can be used to formulate all possible quantum…
With the birth of Noisy Intermediate Scale Quantum (NISQ) devices and the verification of "quantum supremacy" in random number sampling and boson sampling, more and more fields hope to use quantum computers to solve specific problems, such…
The challenge of scaling quantum computers to gain computational power is expected to lead to architectures with multiple connected quantum processing units (QPUs), commonly referred to as Distributed Quantum Computing (DQC). In parallel,…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
In the effort to develop useful quantum computers simulating quantum machines with conventional computing resources is a key capability. Such simulations will always face limits preventing the emulation of quantum computers of substantial…
Linear response (LR) theory is a powerful tool in classic quantum chemistry crucial to understanding photo-induced processes in chemistry and biology. However, performing simulations for large systems and in the case of strong electron…
Quantum Hamiltonian simulation, which simulates the evolution of quantum systems and probes quantum phenomena, is one of the most promising applications of quantum computing. Recent experimental results suggest that Hamiltonian-oriented…
In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of…