Related papers: Efficient geometric integrators for nonadiabatic q…
Symplectic integrators are a foundation to the study of dynamical $N$-body phenomena, at scales ranging from from planetary to cosmological. These integrators preserve the Poincar\'e invariants of Hamiltonian dynamics. The $N$-body…
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…
Gaussian wavepacket dynamics has proven to be a useful semiclassical approximation for quantum simulations of high-dimensional systems with low anharmonicity. Compared to Heller's original local harmonic method, the variational Gaussian…
This work proposes a suite of numerical techniques to facilitate the design of structure-preserving integrators for nonlinear dynamics. The celebrated LaBudde-Greenspan integrator and various energy-momentum schemes adopt a difference…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
We demonstrate provable (sub)exponential quantum speedups in both discrete and continuous optimization, achieved through simple and natural quantum optimization algorithms, namely the quantum adiabatic algorithm for discrete optimization…
Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of correlated quantum chemistry calculations on both classical and…
Counterdiabatic driving emerges as a valuable technique for implementing shortcuts to adiabaticity protocols, enhancing quantum technology applications. In this context, counterdiabatic quantum computing represents a new paradigm with the…
Nonadiabatic holonomic quantum computation~(NHQC) provides an essential way to construct robust and high-fidelity quantum gates due to its geometric features. However, NHQC is more sensitive to the decay and dephasing errors than…
Dissipation and irreversibility are central to most physical processes, yet they lead to non-unitary dynamics that are challenging to realise on quantum processors. High-order operator splitting is an attractive approach for simulating…
Recently a method for adiabatic quantum computation has been proposed and there has been considerable speculation about its efficiency for NP-complete problems. Heuristic arguments in its favor are based on the unproven assumption of an…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
In this paper, an implicit nonsymplectic exact energy-preserving integrator is specifically designed for a ten-dimensional phase-space conservative Hamiltonian system with five degrees of freedom. It is based on a suitable…
The time-evolution operator for an explicitly time-dependent Hamiltonian is expressed as the product of a sequence of unitary operators. These are obtained by successive time-dependent unitary transformations of the Hilbert space followed…
The digital version of adiabatic quantum computing enhanced by counterdiabatic driving, known as digitized counterdiabatic quantum computing, has emerged as a paradigm that opens the door to fast and low-depth algorithms. In this work, we…
Adiabatic elimination is a standard tool in quantum optics, which produces an effective Hamiltonian for a relevant subspace of states, incorporating effects of its coupling to states with much higher unperturbed energy. It shares with…
An adiabatic quantum algorithm is essentially given by three elements: An initial Hamiltonian with known ground state, a problem Hamiltonian whose ground state corresponds to the solution of the given problem and an evolution schedule such…
The geometric phase is a fundamental quantity characterizing the holonomic feature of quantum systems. It is well known that the evolution operator of a quantum system undergoing a cyclic evolution can be simply written as the product of…
Nonadiabatic holonomic operations are based on nonadiabatic non-Abelian geometric phases, hence possessing the inherent geometric features for robustness against control errors. However, nonadiabatic holonomic operations are still sensitive…
Nonadiabatic geometric quantum computation (NGQC) has emerged as an excellent proposal for achieving fast and robust quantum control against control errors. However, previous NGQC protocols could not be strongly resilient against the noise…