Publications associées (168)

Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail

Fabio Pietrucci

Starting from a disordered aggregate, we have simulated the formation of ordered amyloid-like beta structures in a system formed by 18 polyvaline chains in explicit solvent, employing molecular dynamics accelerated by bias-exchange metadynamics. We exploit ...
2012

Ambient space formulations and statistical mechanics of holonomically constrained Langevin systems

John Maddocks

The most classic approach to the dynamics of an n-dimensional mechanical system constrained by d independent holonomic constraints is to pick explicitly a new set of (n - d) curvilinear coordinatesparametrizingthe manifold of configurations satisfying the ...
Springer-Verlag2011

Full-field drift Hamiltonian particle orbits in 3D geometry

Jonathan Graves, Wilfred Anthony Cooper, Stephan Brunner

A Hamiltonian/Lagrangian theory to describe guiding centre orbit drift motion which is canonical in the Boozer coordinate frame has been extended to include full electromagnetic perturbed fields in anisotropic pressure 3D equilibria with nested magnetic fl ...
IOP2011

Full-Field Drift Hamiltonian Particle Orbit in 3D Geometry

Jonathan Graves, Wilfred Anthony Cooper, Stephan Brunner

A Hamiltonian/Lagrangian theory to describe guiding centre orbit drift motion which is canonical in the Boozer coordinate frame has been extended to include full electromagnetic perturbed fields in anisotropic pressure 3D equilibria with nested magnetic fl ...
Institute of Physics2011

Free-surface fluid dynamics on moving domains

Thomas Zimmermann, Matthias Preisig

This paper presents a Lagrangian approach for the simulation of two-dimensional free-surface flows along with a systematic validation. Fluid-flow is traditionally modeled using an Eulerian description in association with finite differences and, more recent ...
2011

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