Related papers: Efficient algorithm for many-electron angular mome…
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulomb interactions poses a major challenge to molecular…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…
Simulating nonlinear classical dynamics on a quantum computer is an inherently challenging task due to the linear operator formulation of quantum mechanics. In this work, we provide a systematic approach to alleviate this difficulty by…
The coupled nonlinear space fractional Ginzburg-Landau (CNLSFGL) equations with the fractional Laplacian have been widely used to model the dynamical processes in a fractal media with fractional dispersion. Due to the existence of…
Rydberg atoms in optical lattices and tweezers is now a well established platform for simulating quantum spin systems. However, the role of the atoms' spatial wavefunction has not been examined in detail experimentally. Here, we show a…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
Leveraging matrix sparsity has proven a fruitful strategy for accelerating quantum chemical calculations. Here we present the hierarchical SOS-MP2 algorithm, which uses hierarchical matrix ($\mathcal{H}^{2}$) compression of the electron…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
We demonstrate how linear differential operators could be emulated by a quantum processor, should one ever be built, using the Abrams-Lloyd algorithm. Given a linear differential operator of order 2S, acting on functions…
A novel method for the numerical prediction of the slowly varying dynamics of nonlinear mechanical systems has been developed. The method is restricted to the regime of an isolated nonlinear mode and consists of a two-step procedure: In the…
Simulating complex spin systems, known for high frustration and entanglement, presents significant challenges due to their intricate energy landscapes. This study focuses on the $J_{1}-J_{2}$ Heisenberg model, renowned for its rich phase…
An efficient numerical algorithm for the laser driven multi-level ionization of high-atomic-number gases is proposed and implemented in an electromagnetic particle-in-cell code SPACE. The algorithm is based on analytical solutions to the…
We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…
Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…
The direct variational determination of the two-electron reduced-density matrix (2-RDM) is usually carried out under the assumption that the 2-RDM is a real-valued quantity. However, in systems that possess orbital angular momentum…
Following the success of Moore's predictions, we are approaching a limit in the miniaturization of semiconductors for computing materials. This has led to the exploration of various research paths to develop alternative computing paradigms,…
We engineer angular momentum eigenstates of a single atom by using a novel all-optical approach based on the interference of Laguerre-Gaussian beams. We confirm the imprint of angular momentum by measuring the two-dimensional density…
Several linear algebra routines for quantum computing use a basis of tensor products of identity and Pauli operators to describe linear operators, and obtaining the coordinates for any given linear operator from its matrix representation…