Related papers: Quantum algorithm for simulating non-adiabatic dyn…
We propose an explicit algorithm based on the Linear Combination of Hamiltonian Simulations technique to simulate both the advection-diffusion equation and a nonunitary discretized version of the Koopman-von Neumann formulation of nonlinear…
Despite its simplicity and strong theoretical guarantees, adiabatic state preparation has received considerably less interest than variational approaches for the preparation of low-energy electronic structure states. Two major reasons for…
The adiabatic quantum algorithm has drawn intense interest as a potential approach to accelerating optimization tasks using quantum computation. The algorithm is most naturally realised in systems which support Hamiltonian evolution, rather…
We study quantum dynamics of Grover's adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolutions are visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the…
Exceptional points, the spectral degeneracy points in the complex parameter space, are fundamental to non-Hermitian quantum systems. The dynamics of non-Hermitian systems in the presence of exceptional points differ significantly from those…
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…
Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
Reliable quantum information processing requires high-fidelity universal manipulation of quantum systems within the characteristic coherence times. Non-adiabatic holonomic quantum computation offers a promising approach to implement fast,…
We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in [E. Farhi, et al., arXiv:quant-ph/0208135]. The algorithm is applied to a random binary optimization problem (a version…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
We propose a new variational quantum algorithm, which we refer to as TIMES-ADAPT, that prepares time-evolved states in a low-energy or symmetric subspace of a time-independent Hamiltonian on a quantum computer. Using a specially trained…
Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is…
Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in…
Quantum computing employs controllable interactions to perform sequences of logical gates and entire algorithms on quantum registers. This paradigm has been widely explored, e.g., for simulating dynamics of manybody systems by decomposing…
The molecular junction geometry is modelled in terms of nuclear degrees of freedom that are embedded in a stochastic quantum environment of non-equilibrium electrons. Time-evolution of the molecular geometry is governed via a mean force, a…
Nonautonomous linear ordinary differential equations of the form $\dot{v}(t) = A(t)\, v(t)$, where $A(t)$ is non-skew-symmetric, are often used to describe nonunitary dynamics in a variety of fields that range from open quantum system…
Due to its geometric nature, holonomic quantum computation is fault-tolerant against certain types of control errors. Although proposed more than a decade ago, the experimental realization of holonomic quantum computation is still an open…
Here, we propose a platform based on ultra-cold fermionic molecules trapped in optical lattices to simulate nonadiabatic effects, as they appear in certain molecular dynamical problems. The idea consists of a judicious choice of two…
We report the realization of a nuclear magnetic resonance computer with three quantum bits that simulates an adiabatic quantum optimization algorithm. Adiabatic quantum algorithms offer new insight into how quantum resources can be used to…