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Publications associées (28)

A local discontinuous Galerkin gradient discretization method for linear and quasilinear elliptic equations

Assyr Abdulle, Giacomo Rosilho De Souza

A local weighted discontinuous Galerkin gradient discretization method for solving elliptic equations is introduced. The local scheme is based on a coarse grid and successively improves the solution solving a sequence of local elliptic problems in high gra ...

EDP SCIENCES S A2019

Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation

Jiri Vanicek, Seonghoon Choi, Julien Roulet

Exact nonadiabatic quantum evolution preserves many geometric properties of the molecular Hilbert space. In the first paper of this series ["Paper I," S. Choi and J. Vaníček, J. Chem. Phys. 150, 204112 (2019)], we presented numerical integrators of arbitra ...

2019

The unfolding argument: Why IIT and other causal structure theories cannot explain consciousness

Michael Herzog, Kathryn Hess Bellwald, Adrien Christophe Doerig, Aaron Schurger

How can we explain consciousness? This question has become a vibrant topic of neuroscience research in recent decades. A large body of empirical results has been accumulated, and many theories have been proposed. Certain theories suggest that consciousness ...

2019

Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation

Jiri Vanicek, Seonghoon Choi

Geometric integrators of the Schrödinger equation conserve exactly many invariants of the exact solution. Among these integrators, the split-operator algorithm is explicit and easy to implement but, unfortunately, is restricted to systems whose Hamiltonian ...

2019

Crystal Orientation Drives the Interface Physics at Two/Three-Dimensional Hybrid Perovskites

Jacques-Edouard Moser, Mohammad Khaja Nazeeruddin, Sanghyun Paek, Giulia Grancini, Kyung Taek Cho, Cristina Roldán Carmona, Valentin Ianis Emmanuel Queloz, Marine Eva Fedora Bouduban

Combining halide perovskites with tailored dimensionality into two/three-dimensional (2D/3D) systems has revealed a powerful strategy to boost the performances of perovskite photovoltaics (PVs). Despite recent advances, a clear understanding of the intimat ...

2019

Adaptive Design of Experiments for Conservative Estimation of Excursion Sets

David Ginsbourger

We consider the problem of estimating the set of all inputs that leads a system to some particular behavior. The system is modeled by an expensive-to-evaluate function, such as a computer experiment, and we are interested in its excursion set, that is, the ...

2021

Full Phase Diagram of Active Brownian Disks: From Melting to Motility-Induced Phase Separation

Ignacio Pagonabarraga Mora, Pasquale Digregorio

We establish the complete phase diagram of self-propelled hard disks in two spatial dimensions from the analysis of the equation of state and the statistics of local order parameters. The equilibrium melting scenario is maintained at small activities, with ...

2018

Spatial: A Language and Compiler for Application Accelerators

Christos Kozyrakis, Yunqi Zhang

Industry is increasingly turning to reconfigurable architectures like FPGAs and CGRAs for improved performance and energy efficiency. Unfortunately, adoption of these architectures has been limited by their programming models. HDLs lack abstractions for pr ...

ASSOC COMPUTING MACHINERY2018

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