Related papers: Quantum algorithm for simulating non-adiabatic dyn…
Quantum gates, which are the essential building blocks of quantum computers, are very fragile. Thus, to realize robust quantum gates with high fidelity is the ultimate goal of quantum manipulation. Here, we propose a nonadiabatic geometric…
Quantum computing gives direct access to the study of real-time dynamics of quantum many-body systems. In principle, it is possible to directly calculate non-equal-time correlation functions, from which one can detect interesting phenomena,…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian…
Computing using a continuous-time evolution, based on the natural interaction Hamiltonian of the quantum computer hardware, is a promising route to building useful quantum computers in the near-term. Adiabatic quantum computing, quantum…
Nonadiabatic holonomic quantum gates are high-speed and robust. Nevertheless, they were found to be more fragile than the adiabatic gates when systematic errors become dominant. Inspired by the dark-path scheme that was used to partially…
We present a quantum algorithm for simulating open quantum systems coupled to Gaussian environments valid for any configuration and coupling strength. The algorithm is applicable to problems with strongly coupled, or non-Markovian,…
Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
Efficient numerical methods are still lacking to probe the unconventional dynamics of quantum many-body systems under non-unitary evolution. In this work, we use Faber polynomials to numerically simulate both the dynamics of non-Hermitian…
The nonadiabatic geometric quantum computation is promising as it is robust against certain types of local noises. However, its experimental implementation is challenging due to the need of complex control on multi-level and/or multiple…
We show how a quantum computer may efficiently simulate a disordered Hamiltonian, by incorporating a pseudo-random number generator directly into the time evolution circuit. This technique is applied to quantum simulation of few-body…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
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…
Quantum adiabatic computation is a novel paradigm for the design of quantum algorithms, which is usually used to find the minimum of a classical function. In this paper, we show that if the initial hamiltonian of a quantum adiabatic…
We introduce a novel methodology for simulating the excited-state dynamics of extensive molecular aggregates in the framework of the long-range corrected time-dependent density-functional tight-binding fragment molecular orbital method…
The reversible nature of thermodynamical cycles is an idealisation based on the assumption of perfect quasi-static dynamics. As a consequence of this assumption, ideal engines operate at the maximum efficiency but have zero power. Realistic…
Simulating noninteracting fermion systems is a common task in computational many-body physics. In absence of translational symmetries, modeling free fermions on $N$ modes usually requires poly$(N)$ computational resources. While often…
We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…
We describe and demonstrate a method for the computation of quantum dynamics on small, noisy universal quantum computers. This method relies on the idea of `restarting' the dynamics; at least one approximate time step is taken on the…