Related publications (50)

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 ...
College Pk2023

Experimental characterization of root-reinforced riparian sediment deposits in a restored and widened river course

Giovanni De Cesare, Paolo Perona

The Arbogne River is located mainly in the Swiss canton of Fribourg. The River was meandering through the plane at a very low gradient and several exceptional historic floods with large sediment accumulation are mentioned. After important river training wo ...
2023

Quand les artistes font forme en habitant ensemble. Usages, présences, imaginaires.

Mathilde Coline Chénin

Taking root within a historical and transversal perspective of communities of artists at work, and of the relationship that they nourish with the places that host their creative activity, the present research intends to bring to light the grammars of "the ...
EPFL2022

Scan-specific artifact reduction in k-space (SPARK) neural networks synergize with physics-based reconstruction to accelerate MRI

Purpose: To develop a scan-specific model that estimates and corrects k-space errors made when reconstructing accelerated MRI data. Methods: Scan-specific artifact reduction in k-space (SPARK) trains a convolutional-neural-network to estimate and correct k ...
WILEY2021

Atomic-scale insights into the origin of rectangular lattice in nanographene probed by scanning tunneling microscopy

Shaoxian Li

We conducted atomic-scale scanning tunneling microscopy of a graphene nanosheet on graphite. In addition to a rhombus lattice representing the (root 3x root 3)R30 degrees superstructure, we resolved another quadrangle lattice similar to a rectangle in the ...
AMER PHYSICAL SOC2021

On Codes Decoding a Constant Fraction of Errors on the BSC

Jan Hazla

We strengthen the results from a recent work by the second author, achieving bounds on the weight distribution of binary linear codes that are successful under block-MAP (as well as bit-MAP) decoding on the BEC. We conclude that a linear code that is succe ...
ASSOC COMPUTING MACHINERY2021

Search for CP violation in Xi(-)(b) -> pK(-)K(-) decays

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface

Klaus Kern

Establishing the atomic-scale structure of metal-oxide surfaces during electrochemical reactions is a key step to modeling this important class of electrocatalysts. Here, we demonstrate that the characteristic (root 2x root 2)R45 degrees surface reconstruc ...
WILEY-V C H VERLAG GMBH2020

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Francesco Aquilante, Luca Binci

We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold. The de ...
AMER PHYSICAL SOC2020

Measurement of psi(2S) meson production in pp collisions at root s = 7TeV (vol 72, 2100, 2012)

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