Concept

Fonctionnelle de Minkowski

Publications associées (27)

WILD SOLUTIONS TO SCALAR EULER-LAGRANGE EQUATIONS

. We study very weak solutions to scalar Euler-Lagrange equations associated with quadratic convex functionals. We investigate whether W1,1 solutions are necessarily W 1,2 Nash and Schauder applicable. We answer this question positively for a suitable clas ...

Amer Mathematical Soc2024

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

Alfredo Pasquarello, Stefano Falletta

Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...

Aip Publishing2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Resistances to change in urban travel behaviors

Marc-Edouard Baptiste Grégoire Schultheiss

The social discourse surrounding the climate emergency progressively infuses the society, transforming into both micro- and macro-social injunctions to change. Yet, society - grounded in a territorial, social, and cultural contingency - appears to resist t ...

EPFL2023

Localizing Unsynchronized Sensors With Unknown Sources

Ivan Dokmanic, Dalia Salem Hassan Fahmy El Badawy

We propose a method for sensor array self-localization using a set of sources at unknown locations. The sources produce signals whose times of arrival are registered at the sensors. We look at the general case where neither the emission times of the source ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

A Characterisation Of The Continuum Gaussian Free Field In Arbitrary Dimensions

Juhan Aru

We prove that under certain mild moment and continuity assumptions, the d-dimensional continuum Gaussian free field is the only stochastic process satisfying the usual domain Markov property and a scaling assumption. Our proof is based on a decomposition o ...

ECOLE POLYTECHNIQUE2022

Memoryless Worker-Task Assignment with Polylogarithmic Switching Cost

Adam Teodor Polak

We study the basic problem of assigning memoryless workers to tasks with dynamically changing demands. Given a set of w workers and a multiset T ⊆ [t] of |T| = w tasks, a memoryless worker-task assignment function is any function ϕ that assigns the workers ...

Schloss Dagstuhl -- Leibniz-Zentrum fur Informatik2022

Nonempirical hybrid functionals for advanced electronic-structure calculations

Thomas Bischoff

Electronic-structure calculations based on hybrid functionals have emerged as a standard technique used in physics, chemistry, and material science. Despite this success, hybrid functionals have the drawback of containing undetermined parameters. To overc ...

EPFL2021

On the constancy theorem for anisotropic energies through differential inclusions

Riccardo Tione

In this paper we study stationary graphs for functionals of geometric nature defined on currents or varifolds. The point of view we adopt is the one of differential inclusions, introduced in this context in the recent papers (De Lellis et al. in Geometric ...

2021

Ill-posedness of the quasilinear wave equation in the space 𝐻7/4(ln𝐻)−𝛽in ℝ2+1

Gaspard Ohlmann

We are interested in the well posedness of quasilinear partial differential equations of order two. Motivated by the study of the Einstein equation in relativity theory, there are a number of works dedicated to the local well-posedness issue for the quasil ...

EPFL2021

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set

Nicola Marzari, Nicola Colonna, Ngoc Linh Nguyen

Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a function of the fractional addition/removal of an electron to/from any orbital. We a ...

AMER CHEMICAL SOC2019

Stochastic Learning Under Random Reshuffling With Constant Step-Sizes

Ali H. Sayed, Stefan Vlaski, Kun Yuan, Bicheng Ying

In empirical risk optimization, it has been observed that stochastic gradient implementations that rely on random reshuffling of the data achieve better performance than implementations that rely on sampling the data uniformly. Recent works have pursued ju ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2019

Non-local Functionals Related to the Total Variation and Connections with Image Processing

Hoài-Minh Nguyên

We present new results concerning the approximation of the total variation,

\int_{\Omega} |\nabla u|

, of a function

u

by non-local, non-convex functionals of the form $$ \Lambda_\delta u = \int_{\Omega} \int_{\Omega} \frac{\delta \varphi \big( |u(x) - ...

2018

Non-convex, non-local functionals converging to the total variation

Hoài-Minh Nguyên

We present new results concerning the approximation of the total variation, integral(Omega)vertical bar del u vertical bar, of a function u by non-local, non-convex functionals of the form Lambda delta(u) = integral(Omega)integral(Omega)delta phi(vertical ...

Elsevier2017

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks

Berend Smit

Small-molecule binding in metal-organic frameworks (MOFs) can be accurately studied both experimentally and computationally, provided the proper tools are employed. Herein, we compare and contrast properties associated with guest binding by means of densit ...

American Chemical Society2017

Interference Functionals in Poisson Networks

We propose and prove a theorem that allows the calculation of a class of functionals on Poisson point processes that have the form of expected values of sum-products of functions. In proving the theorem, we present a variant of the Campbell-Mecke theorem f ...

Ieee-Inst Electrical Electronics Engineers Inc2016

Variational Phase Imaging Using the Transport-of-Intensity Equation

Michaël Unser, Daniel Sage, Emrah Bostan, Masih Nilchian, Emmanuel Augustin Julien Froustey

We introduce a variational phase retrieval algorithm for the imaging of transparent objects. Our formalism is based on the transport-of-intensity equation (TIE), which relates the phase of an optical field to the variation of its intensity along the direct ...

IEEE2016

Variational minimization of orbital-density-dependent functionals

Nicola Marzari, Giovanni Borghi

Orbital-density-dependent functionals, such as the Perdew-Zunger or the Koopmans-compliant functionals, are used to remove unphysical self-interaction energies and to restoremissing piece-wise linearity in approximate formulations of density-functional the ...

Amer Physical Soc2015

An Algorithmic Framework for Mumford-Shah Regularization of Inverse Problems in Imaging

Martin Kurt Storath

The Mumford-Shah model is a very powerful variational approach for edge preserving regularization of image reconstruction processes. However, it is algorithmically challenging because one has to deal with a non-smooth and non-convex functional. In this pap ...

Iop Publishing Ltd2015

Koopmans-compliant functionals and their performance against reference molecular data