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Publications associées (31)

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Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

Michele Ceriotti, Kevin Rossi

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecul ...

American Institute of Physics2017

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

Oliviero Andreussi

Classical molecular dynamics is more and more often coupled to quantum mechanical based techniques as a statistical tool to sample configurations of molecular systems embedded in complex environments. Nonetheless, the classical potentials describing the mo ...

Amer Chemical Soc2017

Quantum optomechanics at room temperature

Hendrik Schütz

Why are classical theories often sufficient to describe the physics of our world even though everything around us is entirely composed of microscopic quantum systems? The boundary between these two fundamentally dissimilar theories remains an unsolved prob ...

EPFL2017

Dimerization and exotic criticality in spin-S chains

Natalia Chepiga

In this thesis we have studied the emergence of spontaneously dimerized phases in frustrated spin-S chains, with emphasis on the nature of the critical lines between the dimerized and non-dimerized phases. The main numerical method used in this thesis is t ...

EPFL2017

A gauge invariant Debye mass and the complex heavy-quark potential

Yannis Burnier

Following the original idea of Debye, we define and extract a gauge-invariant screening mass from the complex static in-medium heavy-quark potential V-Q (Q) over bar, recently obtained from lattice QCD. To this end we derive a formula using concepts from b ...

Elsevier2016

Emergent Lorentz invariance with chiral fermions

Sergey Sibiryakov

We study the renormalization group flow in strongly interacting field theories in the fermion sector corresponding to the transition from theories without a Lorentz invariance at high energies to theories with an approximate Lorentz invariance in the infra ...

Springer Verlag2016

A variational investigation of the SU(N) Heisenberg model in antisymmetric irreducible representations

Jérôme Dufour

Motivated by recent experimental progress in the context of ultra-cold multi-colour fermionic atoms in optical lattices, this thesis investigates the properties of the antiferromagnetic SU(N) Heisenberg models with fully antisymmetric irreducible represent ...

EPFL2016

Large field excursions and approximate discrete symmetries from a clockwork axion

Riccardo Rattazzi

We present a renormalizable theory of scalars in which the low-energy effective theory contains a pseudo-Goldstone boson with a compact field space of 2 pi F and an approximate discrete shift symmetry Z(Q) with Q >> 1, yet the number of fields in the theor ...

American Physical Society2016

Pressure, relaxation volume, and elastic interactions in charged simulation cells

Céline Varvenne

The ab initio calculation of charged supercells within density-functional theory is a necessary step to access several important properties of matter. The relaxation volume of charged point defects or the partial molar volume of ions in solution are two su ...

Amer Physical Soc2015

Force-based higher-order beam element with flexural-shear-torsional interaction in 3D frames. Part II: Applications

João Saraiva Esteves Pacheco de Almeida

The specific features of the proposed force-based formulation derived in the companion paper, which is applied for the first time to higher-order beam theories, are herein thoroughly validated. Introductory numerical examples illustrate the influence of me ...

Elsevier2015

Carbon Nanotubes : Adsorption, Point Defects and Structural Deformation from Quantum and Classical Simulations

Jaap Kroes

This thesis studies carbon nanotubes using state-of-the-art computational methods. Using large-scale quantum-mechanical calculations, based on density-functional-theory, we investigate several important aspects of the physics and chemistry of single-walled ...

EPFL2014