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Computer Simulations of the Electric Double Layer
We describe the Lekner–Sperb summation technique used to calculate the Coulomb interaction in 2D periodic systems, and discuss in detail the methods... -
Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical
A theoretically sound and computationally tractable treatment for non-Hamiltonian molecular dynamics is needed for simulations of complex systems.... -
Reverse Non-equilibrium Molecular Dynamics
We review non-equilibrium methods for calculating transport coefficients with emphasis on the reverse non-equilibrium molecular dynamics (RNEMD)... -
Mesoscopic Multi-particle Collision Model for Fluid Flow and Molecular Dynamics
Several aspects of modeling dynamics at the mesoscale level are discussed: (1) The construction of a mesoscopic description of fluid dynamics. The... -
On the Reduction of Molecular Degrees of Freedom in Computer Simulations
Molecular simulations, based on atomistic force fields are a standard theoretical tool in materials, polymers and biosciences. While various methods,... -
Lattice Boltzmann Modeling of Complex Fluids: Colloidal Suspensions and Fluid Mixtures
The study of complex fluid dynamics requires development of numerical tools that capture the essentials of the dynamic coupling among the different... -
Efficient Methods to Compute Long-Range Interactions for Soft Matter Systems
An extensive introduction to the topic of how to compute long-range interactions efficiently is presented. First, the traditional Ewald sum for 3D... -
Hadron Structure and QCD: Effective Field Theory for Lattice Simulations
Chiral extrapolations will be essential for many years if one is to connect modern lattice QCD calculations with experiment. Given the enormous... -
Quark Propagator from LQCD and Its Physical Implications
The quark propagator lies at the core of lattice hadron spectrum calculations as well as studies in other nonperturbative schemes. It manifestly... -
Baryon Spectroscopy in Lattice QCD
We review recent developments in the study of excited baryon spectroscopy in lattice QCD. After introducing the basic methods used to extract masses... -
Hadron Properties with FLIC Fermions
The Fat-Link Irrelevant Clover (FLIC) fermion action provides a new form of nonperturbative O(a)-improvement in lattice fermion actions offering near... -
Dumbbell Model for Dilute and Semi-Dilute Solutions
Dumbbell models are very crude representations of polymer molecules. Too crude to be of much interest to a polymer chemist, since it in no way... -
Equilibrium Statistics: Monte Carlo Methods
Monte Carlo methods use random numbers, or ‘random’ sequences, to sample from a known shape of a distribution, or to extract distribution by other... -
Computing the η and η′ Mesons in Lattice QCD
It has been known for a long time that the large experimental singlet-octet mass gap in the pseudoscalar meson mass spectrum originates from the... -
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Nonequilibrium Dynamics of Anisotropic Fluids
In Chap. 9 we summarized methods for analyzing the equilibrium statistics of physical system, using Monte Carlo methods. While at equilibrium complex... -
Connection between Different Levels of Description
One of the major issues raised by the Boltzmann equation is the problem of the reduced description. Equations of hydrodynamics constitute a closet... -
Simulating the Dynamics of Mesoscopic Systems
We consider how to simulate quantitatively the dynamics of mesoscopic systems on macroscopic time-scales. In this respect we consider two relatively... -
Hybrid Models: Bridging Particle and Continuum Scales in Hydrodynamic Flow Simulations
Different models for the coupling of field and particle descriptions are introduced and examined. For the purpose of establishing how a molecular... -
Strong and Weak Interactions in a Finite Volume
In these lectures we review the basic ideas of finite volume quantization of two-body hadronic systems below the inelastic threshold and their...