Publications by Cédric Weber | EPFL Graph Search

Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge

The hemocyanin protein binds and transports molecular oxygen via two copper atoms at its core. The singlet state of the Cu2O2 core is thought to be stabilised by a superexchange pathway, but detailed in situ computational analysis is complicated by the mul ...

NATURE PUBLISHING GROUP2020

Electron-phonon-driven three-dimensional metallicity in an insulating cuprate

Fabrizio Carbone, Edoardo Baldini, Cédric Weber

The role of the crystal lattice for the electronic properties of cuprates and other high-temperature superconductors remains controversial despite decades of theoretical and experimental efforts. While the paradigm of strong electronic correlations suggest ...

National Academy of Sciences2020

ONETEP plus TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Cédric Weber, Edward Baxter Linscott

We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox. This code can account for strongly correlate ...

2020

Renormalization of myoglobin-ligand binding energetics by quantum many-body effects

Cédric Weber

We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, na ...

National Academy of Sciences2014

Sedimentation of macroscopic rigid knots and its relation to gel electrophoretic mobility of DNA knots

Giovanni Dietler, Cédric Weber, Andrzej Stasiak, Mathias Carlen

We address the general question of the extent to which the hydrodynamic behaviour of microscopic freely fluctuating objects can be reproduced by macrosopic rigid objects. In particular, we compare the sedimentation speeds of knotted DNA molecules undergoin ...

Nature Publishing Group2013

Anticollinear magnetic order induced by impurities in the frustrated Heisenberg model of pnictides

Frédéric Mila, Cédric Weber

We present Monte Carlo simulations for a classical antiferromagnetic Heisenberg model with both nearest (J(1)) and next-nearest (J(2)) exchange couplings on the square lattice in the presence of nonmagnetic impurities. We show that the order-by-disorder en ...

2012

Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

Cédric Weber

Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this Letter, we develop and carry out state-of-the-art linear scaling density-functional theory calculations refined with nonlocal dynamical mean-field theory. We identify a c ...

2012

Orbital Currents in Extended Hubbard Models of High-T-c Cuprate Superconductors

Frédéric Mila, Cédric Weber, Thierry Giamarchi

Motivated by the recent report of broken time-reversal symmetry and zero momentum magnetic scattering in underdoped cuprates, we investigate under which circumstances orbital currents circulating inside a unit cell might be stabilized in extended Hubbard m ...

2009

Checkerboard order in the – model on the square lattice

Frédéric Mila, Cédric Weber, Michael Sigrist

We propose that the inhomogeneous patterns seen by STM in some underdoped superconducting cuprates could be related to a bond-order-wave instability of the staggered flux state, one of the most studied “normal” state proposed to compete with the d-wave RVB ...

2007

Variational study of strongly correlated electronic models

Cédric Weber

The discovery of high-Tc superconductivity in the cuprates, and the observation that strong correlations are important in connection with these compounds has led to a tremendous interest in understanding the physics of strongly correlated electronic models ...

EPFL2007