Publications de 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

Cédric Weber, Fabrizio Carbone, Edoardo Baldini

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

Cédric Weber, Giovanni Dietler, 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

Cédric Weber, Frédéric Mila

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

Cédric Weber, Frédéric Mila, 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

Cédric Weber, Michael Sigrist, Frédéric Mila

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

Bond-order-modulated staggered-flux phase of thetJmodel on a square lattice

Cédric Weber, Frédéric Mila

Motivated by the observation of inhomogeneous patterns in some high-Tc cuprate compounds, several variational Gutzwiller-projected wave functions with built-in charge and bond-order parameters are proposed for the extended t−J−V model on the square lattice ...

2006

Magnetism and superconductivity of strongly correlated electrons on the triangular lattice

Cédric Weber, Frédéric Mila, Thierry Giamarchi

We investigate the phase diagram of the t−J model on a triangular lattice using a variational Monte Carlo approach. We use an extended set of Gutzwiller projected fermionic trial wave functions allowing for simultaneous magnetic and superconducting order p ...

2006

Numerical simulation of gel electrophoresis of DNA knots in weak and strong electric fields

Cédric Weber, Giovanni Dietler, Andrzej Stasiak, Paolo De Los Rios

2006

Simulations of electrophoretic collisions of DNA knots with gel obstacles

Cédric Weber, Giovanni Dietler, Andrzej Stasiak, Paolo De Los Rios

Gel electrophoresis can be used to separate nicked circular DNA molecules of equal length but forming different knot types. At low electric fields, complex knots drift faster than simpler knots. However, at high electric field the opposite is the case and ...

Institute of Physics2006

Finite-temperature properties of frustrated classical spins coupled to the lattice

Cédric Weber, Frédéric Mila

2005