Related papers: Efficient algorithm for many-electron angular mome…
In a calculation of rotated matrix elements with angular momentum projection, the generalized Wick's theorem may encounter a practical problem of combinatorial complexity when the configurations have more than four quasi-particles (qps).…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…
The simulation of non-Markovian quantum dynamics plays an important role in the understanding of charge and exciton dynamics in the condensed phase environment, and yet it remains computationally expensive on classical computers. We have…
We demonstrate coherent manipulation of the nuclear degrees of freedom of ultracold ground-state strontium 87 atoms, thus providing a toolkit for fully exploiting the corresponding large Hilbert space as a quantum resource and for quantum…
We derive and analyze numerical methods for underdamped (kinetic) Langevin dynamics in a domain with elastic reflection at the boundary. First-order approximations are based on an Euler-type scheme incorporating collision-handling at the…
We analytically compute, in the first Born approximation for symmetric and asymmetric coplanar geometries, the triple differential cross sections for electron-impact ionization of hydrogen atom in the metastable 2S-state at both low and…
We propose a novel numerical algorithm for computing the electronic structure related eigenvalue problem of incommensurate systems. Unlike the conventional practice that approximates the system by a large commensurate supercell, our…
Based on lowest-order finite elements in space, we consider the numerical integration of the Landau-Lifschitz-Gilbert equation (LLG). The dynamics of LLG is driven by the so-called effective field which usually consists of the exchange…
We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…
Tensor Train~(TT) decomposition is widely used in the machine learning and quantum physics communities as a popular tool to efficiently compress high-dimensional tensor data. In this paper, we propose an efficient algorithm to accelerate…
Laser-cooled and trapped atomic ions form an ideal standard for the simulation of interacting quantum spin models. Effective spins are represented by appropriate internal energy levels within each ion, and the spins can be measured with…
The determination of the ground and low-lying excited states is critical in many studies of quantum chemistry and condensed-matter physics. Recent theoretical work proposes a variational quantum eigensolver using ancillary qubits to…
A model for quantum tunnelling of a cluster comprising A identical particles, coupled by oscillator-type potential, through short-range repulsive potential barriers is introduced for the first time in the new symmetrized-coordinate…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
In this paper, we propose a linear and monolithic finite element method for the approximation of an incompressible viscous fluid interacting with an elastic and deforming plate. We use the arbitrary Lagrangian-Eulerian (ALE) approach that…
One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the…
The exploration of neural network quantum states has become widespread in the studies of complicated quantum many-body systems. However, achieving high precision remains challenging due to the exponential growth of Hilbert space size and…
Relativistic strongly magnetized plasmas are produced in laboratories thanks to state-of-the-art laser technology but can naturally be found around compact objects such as neutron stars and black holes. Detailed studies of the behaviour of…
We propose a variational method for constructing the eigenvalues and generalized eigenvalues for an arbitrary $N\times N$ complex matrix. The quantum part of our algorithm is based on encoding the matrix elements into the pure state of a…