Related papers: Generalized FDTD Scheme for Moving Electromagnetic…
In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by…
Based on the Dirac representation of Maxwell equations we present an explicit, discrete space-time, quantum walk-inspired algorithm suitable for simulating the electromagnetic wave propagation and scattering from inhomogeneities within…
This paper introduces a new computational framework to derive electromagnetic field derivatives with respect to multiple design parameters up to any order with the Finite-Difference Time-Domain (FDTD) technique. Specifically, only one FDTD…
We perform a three-dimensional (3D) global simulation of Earth's magnetosphere with kinetic reconnection physics to study the flux transfer events (FTEs) and dayside magnetic reconnection with the recently developed magnetohydrodynamics…
To describe the slow dynamics of a system out of equilibrium, but close to a dynamical arrest, we generalize the ideas of previous work to the case where time-translational invariance is broken. We introduce a model of the dynamics that is…
Domain wall (DW) devices have garnered recent interest for diverse applications including memory, logic, and neuromorphic primitives; fast, accurate device models are therefore imperative for large-scale system design and verification.…
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…
We review the basic ideas of the dynamical mean field theory (DMFT) and some of the insights into the electronic structure of strongly correlated electrons obtained by this method in the context of model Hamiltonians. We then discuss the…
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…
Cell crawling is critical to biological development, homeostasis and disease. In many cases, cell trajectories are quasi-random-walk. In vitro assays on flat surfaces often described such quasi-random-walk cell trajectories as…
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…
In the present work, a new time-dependent exchange theory is presented wherein the symmetry constraints, on a multi-electron wavefunction, are properly accounted for. In so doing, the equations of motion, incorporating the required…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
A self-consistent theory for the classical description of the interaction of light and matter at the nano-scale is presented, which takes into account spatial dispersion. Up to now, the Maxwell equations in nanostructured materials with…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
For electron transport in parallel-plane semiconducting structures, a model is developed that unifies ballistic and diffusive transport and thus generalizes the Drude model. The unified model is valid for arbitrary magnitude of the mean…
Symmetries are important guiding principle for phase transitions. We systematically construct field theory models with local quantum fields that exhibit the following phase transitions: (1) different symmetry protected topological (SPT)…
The simulation of fracture using continuum ductile damage models attains a pathological discretization dependence caused by strain localization, after loss of ellipticity of the problem, in regions whose size is connected to the spatial…
We introduce a localized version of the nudging data assimilation algorithm for the periodic 2D Navier-Stokes equations in which observations are confined (i.e., localized) to a window that moves across the entire domain along a…
An appropriately parameterized compact analytical equation (APAE) is suggested to account for charge carrier mobility in organic disordered semiconductors (ODSs). This equation correctly reproduces the effects of temperature $T$, carrier…