Related papers: BoltzTraP2, a program for interpolating band struc…
Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport…
We study the fast transport of a particle or a Bose-Einstein condensate in a harmonic potential. An exact expression for the final excitation energy in terms of the Fourier transform of the trap acceleration is used to engineer optimal…
We apply the spectral-Lagrangian method of Gamba and Tharkabhushanam for solving the homogeneous Boltzmann equation to compute the low probability tails of the velocity distribution function, $f$, of a particle species. This method is based…
The fundamental properties of molecules bridge experiment and theory. Transport properties (diffusion, thermal diffusion, thermal conductivity and viscosity) of binary mixtures are measurable in experiments, and well-defined in theory, but…
For an isotropic single-band system, it is well known that the semiclassical Boltzmann transport theory within the relaxation time approximation and the Kubo formula with the vertex corrections provide the same result with the…
By using a first-principles approach, monolayer PbI$_2$ is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different…
We propose an algorithm for calculating matrix elements of the non-linear Boltzmann equation collision integral in isotropic case. These matrix elements are used as starting ones in the recurrence procedure for calculating the matrix…
The quantum version of the Boltzmann transport equation (Wigner-Boltzmann equation) is a quite useful tool to investigate the effects of energy dissipation in quantum systems. Numerical approaches uses to be employed in order to stablish a…
We apply Selberg's trace formula to solve problems in hyperbolic band theory, a recently developed extension of Bloch theory to model band structures on experimentally realized hyperbolic lattices. For this purpose we incorporate the…
The Quantum Lattice Boltzmann Method (QLBM) has emerged as one of the most promising quantum computing approaches for the numerical simulation of problems in computational fluid dynamics (CFD). The dynamics is formulated in terms of…
Bayesian inference provides a principled way of estimating the parameters of a stochastic process that is observed discretely in time. The overdamped Brownian motion of a particle confined in an optical trap is generally modelled by the…
We present BTE-Barna (Boltzmann Transport Equation - Beyond the Rta for NAnosystems), a software package that extends the Monte Carlo (MC) module of the almaBTE solver of the Peierls-Boltzmann transport equation for phonons (PBTE) to work…
A new coercivity estimate on the spectral gap of the linearized Boltzmann collision operator for multiple species is proved. The assumptions on the collision kernels include hard and Maxwellian potentials under Grad's angular cut-off…
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of $\mathbf{k}$ points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport…
The Landauer approach to diffusive transport is mathematically related to the solution of the Boltzmann transport equation, and expressions for the thermoelectric parameters in both formalisms are presented. Quantum mechanical and…
We present a numerical method for the velocity-space, spatially homogeneous, collisional Boltzmann equation for electron transport in low-temperature plasma (LTP) conditions. Modeling LTP plasmas is useful in many applications, including…
First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen substituted ternary skutterudites. We compare the results with the prototypical binary composition CoSb$_3$ to identify the…
We consider a momentum dependent relaxation time for the Boltzmann equation in the relaxation time approximation. We employ a power law parametrization for the momentum dependence of the relaxation time, and calculate the shear and bulk…
Traditional theories of electron transport in crystals are based on the Boltzmann equation and do not capture physics arising from quantum coherence. We introduce a transport formalism based on ''orbital Wigner functions'', which accurately…
The transport of charged particles or photons in a scattering medium can be modelled with a Boltzmann equation. The mathematical treatment for scattering in such scenarios is often simplified if evaluated in a frame where the scattering…