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- Ivo F. Sbalzarini, Jens H. Walther, Michael Bergdorf, Simone Elke Hieber, Evangelos M. Kotsalis, Petros Koumoutsakos
- J. Comput. Physics
- 2006

This paper presents a highly efficient parallel particle–mesh (PPM) library, based on a unifying particle formulation for the simulation of continuous systems. In this formulation, the grid-free character of particle methods is relaxed by the introduction of a mesh for the reinitialization of the particles, the computation of the field equations, and the… (More)

- Alexander Dupuis, Evangelos M. Kotsalis, Petros Koumoutsakos
- Physical review. E, Statistical, nonlinear, and…
- 2007

We propose a hybrid model, coupling lattice Boltzmann (LB) and molecular dynamics (MD) models, for the simulation of dense fluids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The MD and LB formulations communicate via the exchange of velocities and velocity gradients at the interface. We validate the… (More)

- Ivo F. Sbalzarini, Jens H. Walther, +5 authors Petros Koumoutsakos
- Euro-Par
- 2006

We present a software framework for the transparent and portable parallelization of simulations using particle-mesh methods. Particles are used to transport physical properties and a mesh is required in order to reinitialize the distorted particle locations, ensuring the convergence of the method. Field quantities are computed on the particles using fast… (More)

- Jens H. Walther, Matej Praprotnik, Evangelos M. Kotsalis, Petros Koumoutsakos
- J. Comput. Physics
- 2012

- Evangelos M. Kotsalis, Jens H. Walther, Efthimios Kaxiras, Petros Koumoutsakos
- Physical review. E, Statistical, nonlinear, and…
- 2009

We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions. The use of a mass conserving specular wall results in turn to… (More)

- Evangelos M. Kotsalis, Petros Koumoutsakos
- ICCS
- 2008

- Evangelos M. Kotsalis, Jens H. Walther, Petros Koumoutsakos
- Physical review. E, Statistical, nonlinear, and…
- 2007

We present a control algorithm to eliminate spurious density fluctuations associated with the coupling of atomistic and continuum descriptions for dense liquids. A Schwartz domain decomposition algorithm is employed to couple molecular dynamics for the simulation of the atomistic system with a continuum solver for the simulation of the Navier-Stokes… (More)

- Evangelos M. Kotsalis, Itsuo Hanasaki, Jens H. Walther, Petros Koumoutsakos
- Computers & Mathematics with Applications
- 2010

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