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We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…

Materials Science · Physics 2009-11-13 Juan E. Peralta , Veronica Barone

In this paper, we develop a quadrature framework for large-scale kernel machines via a numerical integration representation. Considering that the integration domain and measure of typical kernels, e.g., Gaussian kernels, arc-cosine kernels,…

Machine Learning · Computer Science 2021-06-14 Fanghui Liu , Xiaolin Huang , Yudong Chen , Johan A. K. Suykens

Nuclear magnetic resonance spectroscopy with solid-state spin sensors is a promising pathway for the detection of nuclear spins at the micro- and nanoscale. Although many nanoscale experiments rely on a single sensor spin for the detection…

We propose cotunneling as the microscopic mechanism that makes possible inelastic electron spectroscopy of magnetic atoms in surfaces for a wide range of systems, including single magnetic adatoms, molecules and molecular stacks. We…

Mesoscale and Nanoscale Physics · Physics 2011-08-26 F. Delgado , J. Fernández-Rossier

The dynamics of a spin-1/2 particle coupled to a nuclear spin bath through an isotropic Heisenberg interaction is studied, as a model for the spin decoherence in quantum dots. The time-dependent polarization of the central spin is…

Quantum Physics · Physics 2007-06-28 D. D. Bhaktavatsala Rao , V. Ravishankar , V. Subrahmanyam

The recent detection of gravitational waves and electromagnetic counterparts emitted during and after the collision of two neutron stars marks a breakthrough in the field of multi-messenger astronomy. Numerical relativity simulations are…

General Relativity and Quantum Cosmology · Physics 2018-03-22 Tim Dietrich , Sebastiano Bernuzzi , Bernd Bruegmann , Wolfgang Tichy

We discuss how the kernel convolution approach can be used to accurately approximate the spatial covariance model on a sphere using spherical distances between points. A detailed derivation of the required formulas is provided. The proposed…

Computation · Statistics 2017-01-13 Alexander Gribov , Konstantin Krivoruchko

We established important relationships between entanglement measures and the order parameter (spin polarization) in nuclear spin systems controlled by the nuclear magnetic resonance (NMR) technique. Since spin polarization can be easily…

Quantum Physics · Physics 2008-10-27 G. B. Furman , V. M. Meerovich , V. L. Sokolovsky

A new symplectic time-reversible algorithm for numerical integration of the equations of motion in magnetic liquids is proposed. It is tested and applied to molecular dynamics simulations of a Heisenberg spin fluid. We show that the…

Soft Condensed Matter · Physics 2009-10-31 I. P. Omelyan , I. M. Mryglod , R. Folk

An array of planar Penning traps, holding single electrons, can realize an artificial molecule suitable for NMR-like quantum information processing. The effective spin-spin coupling is accomplished by applying a magnetic field gradient,…

Quantum Physics · Physics 2015-06-26 G. Ciaramicoli , F. Galve , I. Marzoli , P. Tombesi

A discrete WKB method is developed for calculating tunnel splittings in spin problems. The method is then applied to the issue of how nuclear spins affect the macroscopic quantum coherence of the total magnetic moment in small magnetic…

Condensed Matter · Physics 2007-05-23 Anupam Garg

A composite multiferroic chain with an interfacial linear magneto-electric coupling is used to study the magnetic and electric responses to an external magnetic or electric field. The simulation uses continuous spin dynamics through the…

Mesoscale and Nanoscale Physics · Physics 2015-08-25 Zidong Wang , Malcolm J. Grimson

Methods from learning theory are used in the state space of linear dynamical and control systems in order to estimate the system matrices. An application to stabilization via algebraic Riccati equations is included. The approach is…

Dynamical Systems · Mathematics 2015-08-12 Fritz Colonius , Boumediene Hamzi

A theoretical study of spin dynamics in non-relativistic particle beams with interacting angular momenta traversing static, spatially varying magnetic fields is presented. The computational framework evaluates sinusoidal magnetic field…

The use of nuclear spins as physical sensing systems is disadvantaged by their low signal responsivity, particularly when compared to sensing techniques based on electron spins. This primarily results from the small nuclear gyromagnetic…

In this work, we propose a path integral-inspired formalism for computing the quantum thermal expectation values of spin systems, when subject to magnetic fields that can be time-dependent and can accommodate the presence of Heisenberg…

Quantum Physics · Physics 2025-06-18 Thomas Nussle , Stam Nicolis , Iason Sofos , Joseph Barker

We describe a method of white-beam inelastic neutron scattering for improved measurement efficiency. The method consists of matrix inversion and selective extraction. The former is to resolve each incident energy component from the…

Materials Science · Physics 2015-03-19 K. Tomiyasu , M. Matsuura , H. Kimura , K. Iwasa , K. Ohoyama , T. Yokoo , S. Itoh , E. Kudoh , T. Sato , M. Fujita

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…

Computational Physics · Physics 2016-11-28 Andrea De Lucia , Benjamin Krüger , Oleg A. Tretiakov , Mathias Kläui

Dynamic nuclear polarisation (DNP) refers to a class of techniques used to increase the signal in nuclear magnetic resonance measurements by transferring spin polarisation from ensembles of highly polarised electrons to target nuclear…

Quantum Physics · Physics 2020-12-24 L. T. Hall , D. A. Broadway , A. Stacey , D. A. Simpson , J-P. Tetienne , L. C. L. Hollenberg

Kernel density estimation is a technique for approximating probability distributions. Here, it is applied to the calculation of mutual information on a metric space. This is motivated by the problem in neuroscience of calculating the mutual…

Information Theory · Computer Science 2014-05-20 R. Joshua Tobin , Conor J. Houghton
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