Related papers: Analog quantum simulation of chemical dynamics
Quantum simulation with adiabatic annealing can provide insight into difficult problems that are impossible to study with classical computers. However, it deteriorates when the systems scale up due to the shrinkage of the excitation gap and…
The idea of simulating quantum physics with controllable quantum devices had been proposed several decades ago. With the extensive development of quantum technology, large-scale simulation, such as the analog quantum simulation tailoring an…
Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable…
Simulating chemical dynamics is computationally challenging, especially for nonadiabatic dynamics, where numerically exact classical simulations scale exponentially with system size, becoming intractable for even small molecules. On quantum…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…
In this work, we present a quantum algorithm for direct first-principles simulation of electron-nuclear dynamics on a first-quantized real-space grid. Our algorithm achieves best-in-class efficiency for block-encoding the…
Universal quantum computers are potentially an ideal setting for simulating many-body quantum dynamics that is out of reach for classical digital computers. We use state-of-the-art IBM quantum computers to study paradigmatic examples of…
Open quantum many-body systems are of both fundamental and applicational interest. However, it remains an open challenge to simulate and solve such systems, both with state-of-the-art classical methods and with quantum-simulation protocols.…
An efficient simulator for quantum systems is one of the original goals for the efforts to develop a quantum computer [1]. In recent years, synthetic dimension in photonics [2] have emerged as a potentially powerful approach for simulation…
Cold-atom analog experiments are a promising new tool for studying relativistic vacuum decay, enabling one to empirically probe early-Universe theories in the laboratory. However, existing proposals place stringent requirements on the…
Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum…
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…
Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…
Quantum computers will allow calculations beyond existing classical computers. However, current technology is still too noisy and imperfect to construct a universal digital quantum computer with quantum error correction. Inspired by the…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
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…
Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In this contribution, we present a general approach for the…
In an analogue quantum simulation, an experimentally accessible quantum system is controlled and measured precisely in order to learn about the properties of another quantum system. As such, analogue quantum simulation is a novel tool of…
We consider superconducting circuits for the purpose of simulating the spin-boson model. The spin-boson model consists of a single two-level system coupled to bosonic modes. In most cases, the model is considered in a limit where the…