Related papers: FEMSIM+HRMC: Simulation of and Structural Refineme…
Classical sampling is based on acquiring signal amplitudes at specific points in time, with the minimal sampling rate dictated by the degrees of freedom in the signal. The samplers in this framework are controlled by a global clock that…
The aim of this paper is to deal with multi-physics simulation of micro-electro-mechanical systems (MEMS) based on an advanced numerical methodology. MEMS are very small devices in which electric as well as mechanical and fluid phenomena…
Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function. Recent calculations suggest that fermionic encoding of the wave function can be bypassed,…
Optical turbulence modelling and simulation are crucial for developing astronomical ground-based instruments, laser communication, laser metrology, or any application where light propagates through a turbulent medium. In the context of…
Exploring potential empirical manifestations of quantum gravity is a challenging pursuit. In this study, we utilise a lattice representation of a (2+1)D massive gravity toy model interacting with Dirac fermions that can support specific…
We derive a factor graph EM (FGEM) algorithm, a technique that permits combined parameter estimation and statistical inference, to determine hidden kinetic microstates from patch clamp measurements. Using the cystic fibrosis transmembrane…
Electrical machines commonly consist of moving and stationary parts. The field simulation of such devices can be very demanding if the underlying numerical scheme is solely based on a domain discretization, such as in case of the Finite…
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…
In general, there is a mismatch between a finite element model {(FEM)} of a structure and its real behaviour. In aeronautics, this mismatch must be small because {FEM}s are a fundamental part of the development of an aircraft and of…
We apply a new method "force enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a-Si), based upon the highly precise X-ray diffraction experiments of Laaziri et al. The logic underlying our calculation is to…
An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin…
The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here we introduce the theory and…
We present a finite element method (FEM) solver for computation of optical resonance modes in VCSELs. We perform a convergence study and demonstrate that high accuracies for 3D setups can be attained on standard computers. We also…
To account for the interference effects of the Coulomb and exchange interactions of electrons a new path integral representation of the density matrix has been developed in the canonical ensemble at finite temperatures. The developed…
The ab initio thermodynamic simulation of correlated Fermi systems is of central importance for many applications, such as warm dense matter, electrons in quantum dots, and ultracold atoms. Unfortunately, path integral Monte Carlo (PIMC)…
We present results of 3D numerical simulations using a finite difference code featuring fixed mesh refinement (FMR), in which a subset of the computational domain is refined in space and time. We apply this code to a series of test cases…
We present a detailed investigation of the near-field optical response of core-shell nanoparticles using Fourier-demodulated full-wave simulations, revealing significant modifications to established contrast mechanisms in scattering-type…
Recent advancements in neural compression have surpassed traditional codecs in PSNR and MS-SSIM measurements. However, at low bit-rates, these methods can introduce visually displeasing artifacts, such as blurring, color shifting, and…
Programmable self-assembly has recently enabled the creation of complex structures through precise control of the interparticle interactions and the particle geometries. Targeting ever more structurally complex, dynamic, and functional…
A framework based on FFT is proposed for micromechanical fatigue modeling of polycrystals as alternative to the Finite Element method (FEM). The variational FFT approach is used with a crystal plasticity model for the cyclic behavior of the…