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Unlocking crowding by ensemble statistics

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ConfJump : a fast biomolecular sampling method which drills tunnels through high mountains

Lionel Walter

In order to compute the thermodynamic weights of the diﬀerent metastable conformations of a molecule, we want to approximate the molecule’s Boltzmann distribution π in a reasonable time. This is an essential issue in computational drug design. The energy l ...

2006

Dissipative evolution of quantum statistical ensembles and nonlinear response to a time-periodic perturbation

Jean-Philippe Ansermet, François Reuse, Jacques Van Der Klink

We present a detailed discussion of the evolution of a statistical ensemble of quantum mechanical systems coupled weakly to a bath. The Hilbert space of the full system is given by the tensor product between the Hilbert spaces associated with the bath and ...

2003

Nondyadic and nonlinear multiresolution image approximations

Maria Arrate Munoz Barrutia

This thesis focuses on the development of novel multiresolution image approximations. Specifically, we present two kinds of generalization of multiresolution techniques: image reduction for arbitrary scales, and nonlinear approximations using other metrics ...

EPFL2002

Texture Mapping by Successive Refinement

Michaël Unser, Philippe Thévenaz

We define texture mapping as an optimization problem for which the goal of preserving the maximum amount of information in the mapped texture. We derive a solution that is optimal in the least-squares sense and that corresponds to the pseudo-inverse of a ...

IEEE2000

Texture mapping by successive refinement

Michaël Unser, Philippe Thévenaz, Stefan Horbelt

2000

The Bases of Chemical Thermodynamics, Volume 2

Michael Graetzel, Pierre Infelta

Chemical reactions and chemical equilibria. Thermodynamics of ideal and real solutions. Statistical Mechanics, microcanonical ensemble, canonical ensemble. ...

Universal Publishers2000

Animated heads from ordinary images: a least-squares approach

Pascal Fua

We show that we can effectively fit arbitrarily complex animation models to noisy data extracted from ordinary face images. Our approach is based on least-squares adjustment, using of a set of progressively finer control triangulations and takes advantage ...

Elsevier1999

On the geometry of a modern imaging diffractometer

Gervais Chapuis

The geometry of a modern imaging diffractometer is discussed in detail. A method to find all relevant instrument parameters from the control single-crystal measurement data is proposed and the limitations of such a procedure are indicated. Optimization of ...

1999

Variance reduction methods for CONNFFESSIT-like simulations

Marco Picasso

The aim of this paper is to present simple but efficient variance reduction methods for CONNFFESSIT-like simulations, extending the ideas of Hulsen et al. [J. Non-Newtonian Fluid Mech. 70 (1997) 79-101] and Ottinger et al. [J. Non-Newtonian Fluid Mech. 70 ...

1999

From regular images to animated heads: a least squares approach

Pascal Fua

We show that we can effectively fit arbitrarily complex animation models to noisy image data. Our approach is based on least-squares adjustment using of a set of progressively finer control triangulations and takes advantage of three complementary sources ...

1998