Recursive evaluation and iterative contraction of N-body equivariant features

Publications associées (28)

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Linear and nonlinear excitation of TAE modes by external electromagnetic perturbations using ORB5

Laurent Villard, Emmanuel Lanti, Alberto Bottino, Mohsen Sadr

The excitation of toroidicity-induced Alfven eigenmodes (TAEs) using prescribed external electromagnetic perturbations (hereafter 'antenna') acting on a confined toroidal plasma, as well as its nonlinear couplings to other modes in the system, is studied. ...

IOP Publishing Ltd2022

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Nicola Marzari, Iurii Timrov, Matteo Cococcioni

We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...

ELSEVIER2022

Coxeter Combinatorics For Sum Formulas In The Representation Theory Of Algebraic Groups

Jonathan Gruber

Let G be a simple algebraic group over an algebraically closed field F of characteristic p >= h, the Coxeter number of G. We observe an easy 'recursion formula' for computing the Jantzen sum formula of a Weyl module with p-regular highest weight. We also d ...

AMER MATHEMATICAL SOC2022

Formula Normalizations in Verification

Viktor Kuncak, Simon Guilloud, Mario Bucev, Dragana Milovancevic

We propose a new approach for normalization and simplification of logical formulas. Our approach is based on algorithms for lattice-like structures. Specifically, we present two efficient algorithms for computing a normal form and deciding the word problem ...

2023

Assessing the value of kinetic results from biochemical methane potential tests: Reproducibility from a large inter-laboratory study

Christof Holliger

Kinetic information extracted from biochemical methane potential (BMP) tests is often reported but its value is unclear. Inter-laboratory reproducibility provides a useful indication of its value. Here we extracted estimates of the first-order rate constan ...

2022

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

Frequency dependence in GW made simple using a multipole approximation

Tommaso Chiarotti, Andrea Ferretti

In the GW approximation, the screened interaction W is a nonlocal and dynamical potential that usually has a complex frequency dependence. A full description of such a dependence is possible but often computationally demanding. For this reason, it is still ...

AMER PHYSICAL SOC2021

Model order reduction of flow based on a modular geometrical approximation of blood vessels

Simone Deparis, Luca Pegolotti

We are interested in a reduced order method for the efficient simulation of blood flow in arteries. The blood dynamics is modeled by means of the incompressible Navier–Stokes equations. Our algorithm is based on an approximated domain-decomposition of the ...

2021

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Assessing the value of kinetic results from biochemical methane potential tests: Reproducibility from a large inter-laboratory study

Christof Holliger

2022