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Concept

Overlap–add method

Publications associées (7)

Columnar self-assembly of N,N ',N ''-trihexylbenzene-1,3,5-tricarboxamides investigated by means of NMR spectroscopy and computational methods in solution and the solid state

Diego Carnevale

The columnar self-assembly resulting from units of N, N', N"-trihexylbenzene-1,3,5-tricarboxamide is investigated in solution and the solid state by means of NMR spectroscopy. A parallel computational study utilizing both semiempirical and DFT methods allo ...

Royal Soc Chemistry2017

Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme

Anne-Clémence Corminboeuf, Matthew Wodrich

Detailed knowledge of hydrocarbon radical thermochemistry is critical for understanding diverse chemical phenomena, ranging from combustion processes to organic reaction mechanisms. Unfortunately, experimental thermochemical data for many radical species t ...

2012

Linear-scaling DFT+U with full local orbital optimization

David Daniel O'Regan

We present an approach to the DFT+U method (density functional theory + Hubbard model) within which the computational effort for calculation of ground-state energies and forces scales linearly with system size. We employ a formulation of the Hubbard model ...

2012

Frame Domain Signal Processing: Framework and Applications

Martin Vetterli

Besides basis expansions, frames representations play a key role in signal processing. We thus consider the problem of frame domain signal processing, which is more complex and challenging than transform domain processing. Examples of such processing aboun ...

Ieee Service Center, 445 Hoes Lane, Po Box 1331, Piscataway, Nj 08855-1331 Usa2010

Photophysics and Photochemistry from First Principles : Applications to Problems in Materials Science and Biology

Matteo Guglielmi

Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...

EPFL2010

Distributed top-k aggregation queries at large

Sebastian Michel

Top-k query processing is a fundamental building block for efficient ranking in a large number of applications. Efficiency is a central issue, especially for distributed settings, when the data is spread across different nodes in a network. This paper intr ...

2009

Propagation and absorption of low frequency waves in two and three dimensional warm plasmas

In order to model a broader range of phenomena taking place in three-dimensional plasmas, the LEMan code has been extended to a warm formulation. As the wave propagation is strongly influenced by the parallel wave vector, special attention has been paid fo ...

EPFL2009