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Publications associées (35)

The first Grushin eigenvalue on cartesian product domains

Joachim Stubbe, Luigi Provenzano, Paolo Luzzini

In this paper, we consider the first eigenvalue.1(O) of the Grushin operator.G :=.x1 + |x1|2s.x2 with Dirichlet boundary conditions on a bounded domain O of Rd = R d1+ d2. We prove that.1(O) admits a unique minimizer in the class of domains with prescribed ...

WALTER DE GRUYTER GMBH2023

Local invertibility and sensitivity of atomic structure-feature mappings

Michele Ceriotti, Sergey Pozdnyakov

Background: The increasingly common applications of machine-learning schemes to atomic-scale simulations have triggered efforts to better understand the mathematical properties of the mapping between the Cartesian coordinates of the atoms and the variety o ...

2021

The effects of Prandtl number on the nonlinear dynamics of Kelvin-Helmholtz instability in two dimensions

Jeremy Peter Parker

It is known that the pitchfork bifurcation of Kelvin-Helmholtz instability occurring at minimum gradient Richardson number Ri(m) similar or equal to 1/4 in viscous stratified shear flows can be subcritical or supercritical depending on the value of the Pra ...

2021

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Andrea Grisafi

Theoretical and computational approaches to the study of materials and molecules have, over the last few decades, progressed at an exponential rate. Yet, the possibility of producing numerical predictions that are on par with experimental measurements is t ...

EPFL2021

Physics-Inspired Structural Representations for Molecules and Materials

Michele Ceriotti, Félix Benedito Clément Musil, Andrea Grisafi

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic-scale structure of matter and its properties, involves transforming the Cartesian coordinates of the atom ...

AMER CHEMICAL SOC2021

Instanton theory of ground-state tunneling splittings with general paths

Christophe Louis Joseph Jean-Luc Vaillant, Mihael Erakovic

We derive a multidimensional instanton theory for calculating ground-state tunneling splittings in Cartesian coordinates for general paths. It is an extension of the method by Mil'nikov and Nakamura [J. Chem. Phys. 115, 6881 (2001)] to include asymmetric p ...

2020

Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin

Stewart Cole, Ruben Hartkoorn, Anthony Vocat

A series of derivatives of the antimycobacterial natural product pyridomycin have been prepared with the C2 side chain attached to the macrocyclic core structure by a C-C single bond, in place of the synthetically more demanding enol ester double bond foun ...

AMER CHEMICAL SOC2020

Stable high-order randomized cubature formulae in arbitrary dimension

Fabio Nobile, Giovanni Migliorati

We propose and analyse randomized cubature formulae for the numerical integration of functions with respect to a given probability measure μ defined on a domain Γ⊆ℝ^d, in any dimension d. Each cubature formula is conceived to be exact on a given finite dim ...

2018

Two-term, asymptotically sharp estimates for eigenvalue means of the Laplacian

Joachim Stubbe

We present asymptotically sharp inequalities for the eigenvalues mu(k) of the Laplacian on a domain with Neumann boundary conditions, using the averaged variational principle introduced in [14]. For the Riesz mean R-1(z) of the eigenvalues we improve the k ...

EUROPEAN MATHEMATICAL SOC2018

Two-fluid solutions for Langmuir probes in collisionless and isothermal plasma, over all space and bias potential

Ivo Furno, Alan Howling, Philippe Frédérique Bruno Guittienne

This paper presents solutions for the classical one-dimensional (1D radial and Cartesian) problem of Langmuir probes in a collisionless, isothermal plasma. The method is based on two-fluid equations derived from the first two moments of Vlasov's equation. ...

2018

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