In an effort to generalize the self-consistent Ornstein-Zernike approximation (SCOZA)-an accurate liquid state theory that has been restricted so far to hard core systems-to arbitrary soft core systems we study a combination of SCOZA with a recently developed perturbation theory. The latter was constructed by Ben-Amotz and Stell [J. Phys. Chem. B 108, 6877 (2004)] as a reformulation of the Week...

Antonio F. Mondragon-Torres received a B.Sc. degree with honors from Universidad Iberoamericana, Mexico City, Mexico, a M.Sc. degree from Universidad Nacional Autonoma de Mexico, Mexico City, Mexico, and a Ph.D. degree (as a Fullbright-CONACYT scholarship recipient) from Texas A&M University, College Station; all degrees in electrical engineering in 1990, 1996, and 2002, respectively. From 1988...

We examine by molecular dynamics simulation the solubility of small apolar solutes in a solvent whose particles interact via the Jagla potential, a spherically symmetric ramp potential with two characteristic lengths: an impenetrable hard core and a penetrable soft core. The Jagla fluid has been recently shown to possess water-like structural, dynamic, and thermodynamic anomalies. We find that ...

Constraint Programming (CP) solvers typically tackle optimization problems by repeatedly finding solutions to a problem while placing tighter and tighter bounds on the solution cost. This approach is somewhat naive, especially for soft-constraint optimization problems in which the soft constraints are mostly satisfied. Unsatisfiable-core approaches to solving soft constraint problems in SAT (e....

The increase of aqueous solubility of nonpolar compounds upon cooling and the cold denaturation of proteins are established experimental facts. Both phenomena have been hypothesized to be related to restructuring of the hydrogen bond network of water around small nonpolar solutes or hydrophobic amino acid side chains. However, an underlying physical mechanism has yet to be identified. We assume...

The generic mechanisms of anomalous transport in porous media are investigated by computer simulations of two-dimensional model systems. In order to bridge the gap between the strongly idealized Lorentz model and realistic models of porous media, two models of increasing complexity are considered: a cherry-pit model with hard-core correlations as well as a soft-potential model. An ideal gas of ...