Related papers: A High-Performance Implementation of Atomistic Spi…
In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit better performance and accuracy in finding local minima than line-search-based descent algorithms like steepest descent or conjugate gradient. Here, an improved…
Tensor networks have historically proven to be of great utility in providing compressed representations of wave functions that can be used for calculation of eigenstates. Recently, it has been shown that a variety of these networks can be…
Simulating the transient effects occurring in superconducting accelerator magnet circuits requires including the mutual electro-thermo-dynamic interaction among the circuit elements, such as power converters, magnets, and protection…
An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…
Scalable surrogate models enable efficient emulation of computer models (or simulators), particularly when dealing with large ensembles of runs. While Gaussian process (GP) models are commonly employed for emulation, they face limitations…
A parallelized quantum dynamics package using the Smolyak algorithm for general molecular simulation is introduced in this work. The program has no limitation of the Hamiltonian form and provides high flexibility on the simulation setup to…
General matrix-matrix multiplications with double-precision real and complex entries (DGEMM and ZGEMM) in vendor-supplied BLAS libraries are best optimized for square matrices but often show bad performance for tall & skinny matrices, which…
Ramsey spectroscopy has become a powerful technique for probing non-equilibrium dynamics of internal (pseudospin) degrees of freedom of interacting systems. In many theoretical treatments, the key to understanding the dynamics has been to…
Correlation functions are often employed to quantify the relationships among interdependent variables or sets of data. Recently, a new class of correlation functions, called Forrelation, has been introduced by Aaronson and Ambainis for…
Magnetic nanomaterials are considered, formed by magnetic nanomolecules with high spins. The problem of spin reversal in these materials is analyzed, which is of interest for the possible use of such materials for quantum information…
We theoretically consider solid state nuclear spins in a semiconductor nanostructure environment as long-lived, high-fidelity quantum memory. In particular, we calculate, in the limit of a strong applied magnetic field, the fidelity versus…
Numerical methods in spin-foam models have significantly advanced in the last few years, yet challenges remain in efficiently extracting results for amplitudes with many quantum degrees of freedom. In this paper we sketch a proposal for a…
We extend the covariance-matrix description of atom--light quantum interfaces, originally developed for real and effective spin-1/2 atoms, to include "spin alignment" degrees of freedom. This allows accurate modeling of optically-probed…
Atomic-scale modeling of magnetic materials requires precise treatment of coupled spin-lattice degrees of freedom (DOFs). Traditional spin-lattice dynamics (SLD), employing Newtonian equation for lattice evolution and the…
Simulation of the time-dynamics of fermionic many-body systems has long been predicted to be one of the key applications of quantum computers. Such simulations -- for which classical methods are often inaccurate -- are critical to advancing…
The performance of quantum algorithms for eigenvalue problems, such as computing Hamiltonian spectra, depends strongly on the overlap of the initial wavefunction and the target eigenvector. In a basis of Slater determinants, the…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
Nuclear spins provide an ideal platform for studying quantum correlations and open quantum system dynamics across diverse areas, including quantum information, quantum foundations, and many-body physics. This is enabled by their long…
The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical system features a two-dimensional ordered distribution of spins…
We use the full-density matrix (FDM) numerical renormalization group (NRG) method to calculate the equilibrium dynamical correlation function $C(\omega)$ of the spin operator $\sigma_z$ at finite temperature for the sub-Ohmic spin-boson…