相关论文: Atomistic spin dynamics with quantum colored noise
We propose a non-collinear spin-constrained method that generates training data for deep-learning-based magnetic model, which provides a powerful tool for studying complex magnetic phenomena that requires large-scale simulations at the…
A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…
Spin measurement is studied as a unitary time evolution of the spin coupled to an environment representing the meter and the apparatus. Modelling the environment as a heat bath comprising only a finite number of boson modes and represented…
Additive friction stir deposition (AFSD) is a novel solid-state additive manufacturing technique that circumvents issues of porosity, cracking, and properties anisotropy that plague traditional powder bed fusion and directed energy…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
We propose using spin-qubit noise magnetometry to probe dynamical signatures of magnetic Berezinskii-Kosterlitz-Thouless (BKT) physics. For a nitrogen-vacancy (NV) center coupled to two-dimensional XY magnets, we predict distinctive…
Atomistic simulations hold significant value in clarifying crucial phenomena such as phase transitions and energy transport in materials science. Their success stems from the presence of potential energy functions capable of accurately…
Exploring quantum technology to precisely measure physical quantities is a meaningful task for practical scientific researches. Here, we propose a novel quantum sensing model based on dressed states driving (DSD) in stimulated Raman…
Quantum sensing with solid-state systems finds broad applications in diverse areas ranging from material and biomedical sciences to fundamental physics. Several solid-state spin sensors have been developed, facilitating the ultra-sensitive…
The Dirac-Frenkel time-dependent variational approach with Davydov Ans\"atze is a sophisticated, yet efficient technique to obtain an acuurate solution to many-body Schr\"odinger equations for energy and charge transfer dy- namics in…
Optical detection of magnetic resonance enables spin-based quantum sensing with high spatial resolution and sensitivity-even at room temperature-as exemplified by solid-state defects. Molecular systems provide a complementary, chemically…
Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…
We study magnetism in magnetically doped quantum dots as a function of confining potential, particle numbers, temperature, and strength of Coulomb interactions. We explore possibility of tailoring magnetism by controlling the…
Quantum sensors offer exceptional sensitivity to nanoscale magnetic fluctuations, where non-stationary effects -- such as spin diffusion -- and non-Markovian dynamics arising from coupling to few environmental degrees of freedom play…
In this article, a few problems related to multiscale modelling of magnetic materials at finite temperatures and possible ways of solving these problems are discussed. The discussion is mainly centred around two established multiscale…
The effects of finite temperature in transport through nanoscopic systems exhibiting uniaxial magnetic anisotropy D, such as molecular magnets, adatoms, or quantum dots side-coupled to a large spin are analyzed in the Kondo regime. The…
Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a…
An optimal dynamical decoupling of a quantum system coupled to a noisy environment must take into account also the imperfections of the control pulses. We present a new formalism which describes, in a closed-form expression, the evolution…
We study the 3D Hubbard model with anisotropic nearest neighbor tunneling amplitudes using the dynamical cluster approximation and compare the results with a quantum simulation experiment using ultracold fermions in an optical lattice,…
Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and materials at finite temperatures where the nuclei evolve on potential energy surfaces obtained from accurate electronic structure calculations. In this…