Related papers: SIMPRE: Installation and User Manual
SIMNRA is widely adopted by the scientific community of ion beam analysis for interpretation of nuclear scattering analysis. Taking advantage of its recognized reliability and quality of the simulations, we developed a computer program that…
Coherent control of individual molecular spins in nano-devices is a pivotal prerequisite for fulfilling the potential promised by molecular spintronics. By applying electric field pulses during time-resolved electron spin resonance…
A high-performance Fortran code is developed to calculate the spin- and parity-dependent shell model nuclear level densities.The algorithm is based on the extension of methods of statistical spectroscopy and implies exact calculation of the…
K$_2$YF$_5$ crystals doped with lanthanide ions have a variety of possible optical applications. Owing to the low symmetry of the system, the crystal structure cannot be unambiguously determined by x-ray diffraction. However,…
Monte Carlo techniques play a central role in statistical mechanics approaches for connecting macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo…
We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation…
A method, based on the Neel-Brown model of thermally activated magnetization reversal of a magnetic single-domain particle, is proposed to study the field sweep rate dependence of the coercive field of single-molecule magnets (SMMs). The…
We present an updated version of the SimProp Monte Carlo code: a simulation scheme to study the propagation of ultra-high-energy cosmic rays through diffuse extragalactic background radiation. The new version of the code presents two…
Searches for physics beyond the Standard Model using spin sensors are susceptible to spurious frequency shifts and noise due to magnetic fields. Therefore a comagnetometer -- an auxiliary sensor that allows mundane magnetic field effects to…
The author reports on new high-fidelity simulations of charge carriers in the high-T$_c$ cuprate materials using quantum Monte Carlo techniques applied to the first principles Hamiltonian. With this high accuracy technique, the doped ground…
Given the scarcity of experimentally confirmed magnetic structures, the reliable prediction of magnetic ground states is crucial; however, it remains a long-sought challenge because of the complex magnetic potential energy landscape. Here,…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…
We report high-resolution spectroscopy of 125 field stars previously observed as part of the Sloan Digital Sky Survey and its program for Galactic studies, the Sloan Extension for Galactic Understanding and Exploration (SEGUE). These…
Rare-earth iron garnets $R_{3}$Fe$_{5}$O$_{12}$ are fascinating insulators with very diverse magnetic phases. Their strong potential in spintronic devices has encouraged a renewal of interest in the study of their low temperature spin…
The DArk Matter Particle Explorer (DAMPE) is one of the four satellites within the Strategic Pioneer Research Program in Space Science of the Chinese Academy of Science (CAS). The Silicon-Tungsten Tracker (STK), which is composed of 768…
The electronic structure of the rare earth nitrides is studied systematically using the {\it ab-initio} self-interaction corrected local-spin-density approximation (SIC-LSD). This approach allows both a localised description of the rare…
This paper is devoted to the numerical symplectic approximation of the charged-particle dynamics (CPD) with arbitrary electromagnetic fields. By utilizing continuous-stage methods and exponential integrators, a general class of symplectic…
A fully self-consistent microscopic framework for evaluation of nuclear weak-interaction rates at finite temperature is introduced, based on Skyrme functionals. The single-nucleon basis and the corresponding thermal occupation factors of…
We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…
The position of mobile active and inactive ions, specifically ion insertion sites, within organic crystals, significantly affects the properties of organic materials used for energy storage and ionic transport. Identifying the positions of…