Publication

A link between short-range and long-range properties of random sphere packings

Publications associées (4)

Efficient implementation of atom-density representations

Michele Ceriotti, Guillaume André Jean Fraux, Till Junge, Félix Benedito Clément Musil, Michael John Willatt, Max David Veit, Alexander Jan Goscinski

Physically motivated and mathematically robust atom-centered representations of molecular structures are key to the success of modern atomistic machine learning. They lie at the foundation of a wide range of methods to predict the properties of both materi ...

2021

High-Precision MRI Reconstruction Algorithm for 3D Sphere Packings

Daniele Mari, Arnaud Comment, Riccardo Balzan, Alessandro Luigi Sellerio

Packings of granular materials are complex systems consisting of large sets of particles interacting via contact forces. Their internal structure is interesting for several theoretical and practical reasons, especially when the model system consists in a l ...

Springer Verlag2015

Theoretical investigations of magnetic properties of MRI contrast agents and carbon nanostructures

Oleg Yazyev

The phenomenon of magnetism is one of the key components of today's technological progress. Magnetic interactions and magnetic materials are essential for the scientific disciplines of physics, chemistry and biology, making this subject truly multidiscipli ...

EPFL2007

Gadolinium(III) ion in liquid water: structure, dynamics and magnetic interactions from first principles

Lothar Helm, Oleg Yazyev

We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the

Gd^{3+}

aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...

2007

Gadolinium(III) ion in liquid water: structure, dynamics and magnetic interactions from first principles

Lothar Helm, Oleg Yazyev

We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the

Gd^{3+}

aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...

2007