The hydrodynamics of complex fluids, such as polymer solutions and colloidal suspensions, has attracted great interest due to recent advances in fabrication of micro- and nano-fluidic devices. I will first review recent advances in mesoscopic numerical methods for simulating the interaction between complex fluid flow and suspended macro molecules and structures. Computational issues at play include coarse-graining to bridge the large gap in timescales and length scales, coupling between disparate methods such as molecular dynamics and Navier-Stokes solvers, the inclusion of thermal fluctuations.

I will then present my recent work at LLNL to develop novel particle methods for modeling polymer chains in flow. Typically, Molecular Dynamics (MD) is used for the polymer chains, and the solvent is modeled with a mesoscopic method. In our algorithm, termed Stochastic Event-Driven Molecular Dynamics (SEDMD) [A. Donev and A. L. Garcia and B. J. Alder, J. Comp. Phys., 227(4), 2644-2665, 2008], polymers are modeled as chains of hard spheres and the solvent is modeled using a dense-fluid generalization of the Direct Simulation Monte Carlo (DSMC) method [Phys. Rev. Lett., 101, 075902, 2008]. Even with all of the speedup compared to brute-force MD the algorithm is still time-consuming due to the large number of solvent particles necessary to fill the computational domain. It is natural to restrict the particle model only to regions close to a polymer chain and use a lower-resolution continuum model elsewhere. I will present a hybrid method that couples an explicit fluctuating compressible Navier-Stokes solver with the particle method. The coupling is flux-based and generalizes previous work [J. B. Bell and A. L. Garcia and S. A. Williams, SIAM Multiscale Modeling and Simulation, 6, 1256-1280, 2008] to dense fluids as appropriate for polymer problems.

I will conclude with a look into the challenges of developing a simulation methodology capable of simulating macroscopic flows of complex fluids with atomistic fidelity.

The main goal of the talk is to introduce a new cap-and-trade scheme design for the control and the reduction of atmospheric pollution. The tools developed for the purpose of the study are intended to help policy makers and regulators understand the pros and cons of the emissions markets at a quantitative level.

We propose a model for an economy where risk neutral firms produce goods to satisfy an inelastic demand and are endowed with permits by the regulator in order to offset their pollution at compliance time and avoid having to pay a penalty. Firms that can easily reduce emissions do so, while those for which it is harder buy permits from those firms anticipating that they will not need them, creating a financial market for pollution credits.

Our model captures most of the features of the European Union Emissions Trading Scheme. We show existence of an equilibrium and uniqueness of emissions credit prices. We also characterize the equilibrium prices of goods and the optimal production and trading strategies of the firms. We choose the electricity market in Texas to illustrate numerically the qualitative properties observed during the implementation of the first phase of the European Union cap-and-trade CO2 emissions scheme, comparing the results of cap-and-trade schemes to the Business As Usual benchmark. In particular, we confirm the presence of windfall profits criticized by the opponents of these markets. We also demonstrate the shortcomings of tax and subsidy alternatives. Finally we introduce a relative allocation scheme which, despite its ease of implementation, leads to smaller windfall profits than the standard scheme.

The microscopic structure of a macroscopic system in a steady state is described locally, i.e. at a suitably scaled macroscopic point $x$, by a time invariant measure of the corresponding infinite system with translation invariant dynamics. This measure may be extremal, with good decay of correlations, or a superposition of extremal measures, with weights depending on $x$ (and possibly even on the way one scales).

I will illustrate the above by some exact results for 1D lattice systems with two types of particles (plus holes) evolving according to variants of the simple asymmetric exclusion process, in open or closed systems. Somewhat surprisingly, the spatially asymmetric local dynamics satisfy (in some cases) detailed balance with respect to a global Gibbs measure with long range pair interactions.