Related papers: A group theoretical approach to computing phonons …
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact…
We combine hydrodynamic and field theoretic methods to develop a general theory of phonons as Goldstone bosons in crystals, glasses and liquids based on non-affine displacements and the consequent Goldstones phase relaxation. We relate the…
We propose a theoretical framework for the detection of order parameter fluctuations in three dimensions using ultrafast coherent phonon spectroscopy. We focus our attention on long wavelength charge density fluctuations (plasmons), and…
The anharmonic interaction and scattering of phonons by a moving dislocation, the photon wind, imparts a drag force $v B(v, T, \rho)$ on the dislocation. In early studies the drag coefficient $B$ was computed and experimentally determined…
Density Functional Theory (DFT) calculations not only allow to predict the vibrational and optical properties of solids but also to understand and disentangle the mechanisms playing a key role in the generation of coherent optical phonons.…
In this thesis we discuss non-perturbative phenomena emerging in gauge and in string/supergravity theories. We compute the partition function of 5D minimal supersymmetric U(1) gauge theory with extra adjoint matter in general…
Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…
We use the known soft and collinear limits of tree- and one-loop scattering amplitudes -- computed over a decade ago -- to explicitly construct a subtraction scheme for next-to-next-to-leading order (NNLO) computations. Our approach…
The traditional picture of heat transfer in solids by atomic vibrations, also known as phonons, involves phonons scattering with each other like gas particles and is commonly referred to as the phonon gas model (PGM). This physical picture…
Electron-phonon coupling is at the origin of conventional superconductivity, enabling the pairing of electrons into Cooper pairs. The electron-phonon matrix elements depend on the electronic eigenstates and, in the standard linear…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
This paper presents a computational methodology for analyzing intonation and deriving tuning systems in microtonal oral traditions, utilizing pitch histograms, Dynamic Time Warping (DTW), and optimization techniques, with a case study on a…
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+$U$ ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating…
In this work we present a new subtraction method for next-to-leading order calculations that is particularly convenient even when narrow resonances are present. The method is particularly suitable for the implementation of next-to-leading…
The detailed characterization of non-trivial coherence properties of composite quantum systems of increasing size is an indispensable prerequisite for scalable quantum computation, as well as for understanding of nonequilibrium many-body…
Ground state properties and phonon dispersion curves of a classical linear chain model describing a crystal with an incommensurate phase are studied. This model is the DIFFOUR (discrete frustrated phi4) model with an extra fourth-order term…
Recently, we introduced a new class of shapes, called soft cells which fill space as soft tilings without gaps and overlaps while minimizing the number of sharp corners. We introduced the edge bending algorithm that deforms a polyhedral…
We compute the normalisation factor for the large order asymptotics of perturbation theory for the self-avoiding manifold (SAM) model describing flexible tethered (D-dimensional) membranes in d-dimensional space, and the epsilon-expansion…
A fundamental question in computer science is: Is it harder to solve $n$ instances independently than to solve them simultaneously? This question, known as the direct sum question or direct sum theorem, has been paid much attention in…
A fundamental question of longstanding theoretical interest is to prove the lowest exact count of real additions and multiplications required to compute a power-of-two discrete Fourier transform (DFT). For 35 years the split-radix algorithm…