J. Fish, Multiscale Methods: Bridging the Scales in Science and Engineering, Oxford University Press, Inc., New York, NY, USA, 2009.

Abstract. We present a reusable solution that supports users in combining single-scale models to create a multiscale application.

A way to support the execution of multiphysics simulations on PL-Grid resources on a stability simulation involving the plasma edge in a Tokamak device and ...

In this article, we focus on the utility of molecular dynamics (MD) simulations and the molecular insights gleaned from these techniques on the pore forming ...

ProtoMD is a toolkit that facilitates the development of algorithms for multiscale molecular dynamics (MD) simulations. It is designed for multiscale methods ...

In this article we review the key modelling tools available for simulating biomolecular systems. We consider recent developments and representative ...

Bibliographic details on Support for Multiscale Simulations with Molecular Dynamics.

The present paper focuses on the use of modern molecular dynamics and multi-scale methods of computational biochemistry—from classical molecular dynamics ...

Mar 27, 2024 · MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions ...

This implementation enables us to perform a novel type of molecular dynamics simulation utilizing the hybrid machine learning/molecular mechanics (ML/MM) ...