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Publications associées (88)

Reproducibility in density functional theory calculations of solids

Nicola Marzari, Ivano Eligio Castelli, Lorenzo Paulatto, François Gygi, Gian-Marco Rignanese, Matthias Scheffler

The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the ...

American Association for the Advancement of Science2016

Locally Refinable Parametric Snakes

Michaël Unser, Daniel Andreas Schmitter, Anaïs Laure Marie-Thérèse Badoual

Shape segmentation is an active field of research in biomedical imaging. In this context, we present a new parameterization of a snake that is locally refinable. We introduce the possibility of locally increasing the approximation power of the parametric m ...

IEEE2015

Solvation quantities from a COSMO-RS equation of state

Vassily Hatzimanikatis

This work focuses on the extension of the successful COSMO-RS model of mixtures into an equation-of-state model of fluids and its application for the estimation of solvation/hydration quantities of a variety of chemical substances. These quantities include ...

Elsevier2015

Theory of the jamming transition at finite temperature

Matthieu Wyart, Eric DeGiuli

A theory for the microscopic structure and the vibrational properties of soft sphere glass at finite temperature is presented. With an effective potential, derived here, the phase diagram and vibrational properties are worked out around the Maxwell critica ...

American Institute of Physics2015

Spin state transition and partitioning of iron: Effects on mantle dynamics

James Badro

Experimental studies at pressure and temperature conditions of the Earth's lower mantle have shown that iron in ferropericlase (Fp) and in Mg-silicate perovskite (Pv) undergoes a spin state transition. This electronic transition changes elastic and transpo ...

Elsevier2015

Doping characteristics of iodine on as-grown chemical vapor deposited graphene on Pt

Olivier Renault, Hokwon Kim, Nicolas Chevalier

Using laboratory X-ray photoelectron emission microscopy (XPEEM), we investigated the doping efficiency and thermal stability of iodine on as-grown graphene on Pt. After iodine adsorption of graphene in saturated vapor of I-2, monolayer and bilayer graphen ...

Elsevier Science Bv2015

A model to determine the optimal parameters for sustainable-energy machining in a multi-pass turning operation

Ian Anthony Stroud, Olcay Akten, Muhammad Arif

This study presents a model for the optimization of machining parameters for the minimum energy consumption in a multi-pass turning operation. The model takes into account finishing and roughing passes separately for the energy optimization followed by the ...

Professional Engineering Publishing2014

Implications of the Assumptions on Intracellular Metabolic Operational States in Metabolic Control Analysis

Vassily Hatzimanikatis, Ljubisa Miskovic, Georgios Fengos, Keng Cher Soh, Anirikh Chakrabarti

Modeling and analysis of metabolic networks is inherently biased by assumptions regarding the intracellular metabolite and flux states. Despite the advanced metabolomics and fluxomics methods at our disposal, the sheer complexity of metabolic networks prev ...

2014

Learning Reach-to-Grasp Motions From Human Demonstrations

Ashwini Shukla

Reaching over to grasp an item is arguably the most commonly used motor skill by humans. Even under sudden perturbations, humans seem to react rapidly and adapt their motion to guarantee success. Despite the apparent ease and frequency with which we use th ...

EPFL2014

An inexact proximal path-following algorithm for constrained convex minimization

Volkan Cevher, Quoc Tran Dinh, Anastasios Kyrillidis

Many scientific and engineering applications feature large-scale non-smooth convex minimization problems over convex sets. In this paper, we address an important instance of this broad class where we assume that the non-smooth objective is equipped with a ...

Siam Publications2014

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