Related papers: Quantum algorithm for simulating non-adiabatic dyn…
Quantum computation based on nonadiabatic geometric phases has attracted a broad range of interests, due to its fast manipulation and inherent noise resistance. However, it is limited to some special evolution paths, and the gate-times are…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
We define an observable-space framework of Quantum Koopman Algorithms (QKAs) for simulating the dynamics of both linear quantum and nonlinear classical systems, based on approximately closed sets of observables and efficient coherent…
A $\mathcal{PT}$-symmetric, non-Hermitian Hamiltonian in the $\mathcal{PT}$-unbroken regime can lead to unitary dynamics under the appropriate choice of the Hilbert space. The Hilbert space is determined by a Hamiltonian-compatible inner…
Solving linear systems of equations is a fundamental problem with a wide variety of applications across many fields of science, and there is increasing effort to develop quantum linear solver algorithms. [Suba\c{s}i et al., Phys. Rev. Lett.…
With qubits encoded into atomic ground and Rydberg states and situated on the vertexes of a graph, the conditional quantum dynamics of Rydberg blockade, which inhibits simultaneous excitation of nearby atoms, has been employed recently to…
Quantum computing holds great promise to accelerate scientific computations in fluid dynamics and other classical physical systems. While various quantum algorithms have been proposed for linear flows, developing quantum algorithms for…
The parametric deformations of quasienergies and eigenvectors of unitary operators are applied to the design of quantum adiabatic algorithms. The conventional, standard adiabatic quantum computation proceeds along eigenenergies of…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
Holonomic quantum computation uses non-Abelian geometric phases to realize error resilient quantum gates. Nonadiabatic holonomic gates are particularly suitable to avoid unwanted decoherence effects, as they can be performed at high speed.…
The physical implementation of holonomic quantum computation is challenging due to the needed complex controllable interactions in multilevel quantum systems. Here we propose to implement nonadiabatic holonomic quantum computation with…
Exploring low-cost applications is paramount to creating value in early fault-tolerant quantum computers. Here we optimize both gate and qubit counts of recent algorithms for simulating the Fermi-Hubbard model. We further devise and compile…
We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
We present a method to study rare nonadiabatic dynamics in open quantum systems using transition path sampling and quantum jump trajectories. As with applications of transition path sampling to classical dynamics, the method does not rely…
We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…
Adiabatic quantum gate implementation generally takes longer time, which is disadvantageous in view of decoherence. In this report we implement several essential one-qubit quantum gates nonadiabatically by making use of a dynamical…
Quantum algorithms for Hamiltonian simulation and linear differential equations more generally have provided promising exponential speed-ups over classical computers on a set of problems with high real-world interest. However, extending…