On Short Sums Of Trace Functions

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Noncollinear DFT plus U and Hubbard parameters with fully relativistic ultrasoft pseudopotentials

Nicola Marzari, Luca Binci

The magnetic, noncollinear parametrization of Dudarev's DFT + U method is generalized to fully relativistic ultrasoft pseudopotentials. We present the definition of the DFT + U total energy functional and the calculation of forces and stresses in the case ...

Amer Physical Soc2023

Predictive modeling of Alfvén eigenmode stability in inductive scenarios in JT-60SA

Javier García Hernández, Antonio José Pereira de Figueiredo, Matteo Vallar

The JT-60SA device offers unique conditions before ITER for the study of the interaction of energetic particles with plasma waves. With similar dimensions to JET, e.g., a major radius but with a slightly more elongated plasma volume, JT-60SA is used as a h ...

Frontiers Media Sa2023

DFT plus U-type functional derived to explicitly address the flat plane condition

Edward Baxter Linscott, David Daniel O'Regan

A DFT+U-type corrective functional is derived from first principles to enforce the flat plane condition on localized subspaces, thus dispensing with the need for an ad hoc derivation from the Hubbard model. Small, molecular test systems at the dissociated ...

AMER PHYSICAL SOC2023

Fourier non-uniqueness sets from totally real number fields

Martin Peter Stoller

Let K be a totally real number field of degree n >= 2. The inverse different of K gives rise to a lattice in Rn. We prove that the space of Schwartz Fourier eigenfunctions on R-n which vanish on the "component-wise square root" of this lattice, is infinite ...

EUROPEAN MATHEMATICAL SOC-EMS2022

pyFFS: A Python Library for Fast Fourier Series Computation and Interpolation with GPU Acceleration

Martin Vetterli, Paul Hurley, Matthieu Martin Jean-André Simeoni, Eric Bezzam, Sepand Kashani

Fourier transforms are an often necessary component in many computational tasks, and can be computed efficiently through the fast Fourier transform (FFT) algorithm. However, many applications involve an underlying continuous signal, and a more natural choi ...

SIAM2022

midiVERTO: A Web Application to Visualize Tonality in Real Time

Fabian Claude Moss, Daniel Harasim

This paper presents a web application for visualizing the tonality of a piece of music-the organization of its chords and scales-at a high level of abstraction and with coordinated playback. The application applies the discrete Fourier transform to the pit ...

SPRINGER INTERNATIONAL PUBLISHING AG2022

Fourier uniqueness and interpolation in Euclidean space

Martin Peter Stoller

We prove that every Schwartz function in Euclidean space can be completely recovered given only its restrictions and the restrictions of its Fourier transform to all origin-centered spheres whose radii are square roots of integers. In particular, the only ...

EPFL2022

Perturbed Fourier uniqueness and interpolation results in higher dimensions

Martin Peter Stoller, Joao Pedro Gonçalves Ramos

We obtain new Fourier interpolation and uniqueness results in all dimensions, extending methods and results by the first author and M. Sousa [11] and the second author [12]. We show that the only Schwartz function which, together with its Fourier transform ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2022

Phantom Curves: Scientific Discovery through Interactive Music Visualization

Fabian Claude Moss, Daniel Harasim

We introduce phantom curves, a novel music-theoretical concept based on the discrete Fourier transform (DFT), and document the creative process that led to their discovery. In particular, we emphasize the importance of interactive web applications for musi ...

ACM2022

Efficient Meso-Scale Modeling of Alkali-Silica-Reaction Damage in Concrete

Ali Falsafi

The alkali-silica reaction (ASR), also known as concrete cancer, is one of the most prevalent causes of concrete degradation. In this chemical reaction, amorphous silica in the aggregates reacts with alkalis in the pore solution. By absorbing water, hydrop ...

EPFL2022

Resolution-robust Large Mask In painting with Fourier Convolutions

Anastasia Remizova

Modern image inpainting systems, despite the significant progress, often struggle with large missing areas, complex geometric structures, and high-resolution images. We find that one of the main reasons for that is the lack of an effective receptive field ...

IEEE COMPUTER SOC2022

LHC Schottky Spectrum from Macro-Particle Simulations

Tatiana Pieloni, Nicolas Frank Mounet, Christophe Emmanuel R. Lannoy

We introduce a method for building Schottky spectra from macro-particle simulations performed with the PyHEADTAIL code, applied to LHC beam conditions. In this case, the use of a standard Fast Fourier Transform (FFT) algorithm to recover the spectral conte ...

JACoW Publishing2022