Coarse graining nuclear interactions

Multibody Interactions in Coarse-graining Schemes

In this paper we address the role of multibody interactions for the coarse-grained approximation of stochastic lattice systems. Such interaction potentials are often not included in coarse-graining schemes, as they can be computationally expensive. The multibody interactions are obtained from the error expansion of the reference measure which is, in many cases, chosen as a Gibbs measure corresp...

Coarse graining

Multiscale simulations For nearly all systems of interest to us, the most transferrable and fundamental description of matter is one that invokes quantum mechanics. At the highest level of accuracy, this amounts to solving Schrodinger’s equation for all of the subatomic particles in a system. Computationally, many approximations need to be made in order to use ab initio methods, and even these ...

Predictive coarse-graining

Brute-force molecular dynamics simulations are limited by the exuberant number of degrees of freedom and the relatively small time-steps. As a result, only relatively small assemblies of molecules over small time spans are accessible with current and foreseeable computational capabilities. In order to overcome this limitation, coarse-grained models have been proposed which employ a much smaller...

Shape-Based Coarse Graining

Multibody Interactions in Coarse-Graining Schemes for Extended Systems

In [12, 14] coarse-graining schemes for stochastic many body microscopic models focusing on equilibrium stochastic lattice systems were developed and furthermore, the accuracy of the coarse-graining schemes was estimated in terms of information loss between the exact and approximate coarse-grained Gibbs measures. The relative entropy estimates are given in terms of a small parameter . In this p...