Related papers: Phase Behavior of Short Range Square Well Model
We study the phase diagram and critical behavior of an interacting one dimensional two species monomer-monomer catalytic surface reaction model with a reactive phase as well as two equivalent adsorbing phase where one of the species…
We calculated the phase diagram of the second layer of $para$-H$_2$ adsorbed on graphite using quantum Monte Carlo methods. The second layer shows an incommensurate triangular crystal structure. By using a symmetric wave function, that…
We establish metastability of the one-dimensional Cahn-Hilliard equation for initial data that is order-one in energy and order-one in $\dot{H}^{-1}$ away from a point on the so-called slow manifold with $N$ well-separated layers.…
Specialized Monte Carlo methods are nowadays routinely employed, in combination with thermodynamic integration (TI), to locate phase boundaries of classical many-particle systems. This is especially useful for the fluid-solid transition,…
Monte Carlo sampling of any system may be analyzed in terms of an associated glass model -- a variant of the Random Energy Model -- with, whenever there is a sign problem, complex fields. This model has three types of phases (liquid, frozen…
Motivated by some numerical observations on molecular dynamics simulations, we analyze metastable trajectories in a very simplecsetting, namely paths generated by a one-dimensional overdamped Langevin equation for a double well potential.…
New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [J. Chem. Phys.…
The ground-state properties of two-dimensional liquid $^4$He at zero temperature are studied by means of a quadratic diffusion Monte Carlo method. As interatomic potential we use a revised version of the HFDHE2 Aziz potential which is…
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via the application of the lever rule, where an assigned molar…
We propose a modified power method for computing the subdominant eigenvalue $\lambda_2$ of a matrix or continuous operator. Here we focus on defining simple Monte Carlo methods for its application. The methods presented use random walkers…
We develop and apply the Diagrammatic Monte Carlo technique to address the problem of stability of the Dirac liquid state (in a graphene type system) against strong long-range part of the Coulomb interaction. So far, all attempts to deal…
We study the stress distribution profiles and the height and thickness fluctuations of lipid membranes in the tilted gel state by Monte Carlo simulations of a generic coarse-grained model for lipid membranes, which reproduces many known…
Achieving a coherent understanding of the many thermodynamic and dynamic anomalies of water is among the most important unsolved puzzles in physics, chemistry, and biology. One hypothesized explanation imagines the existence of a line of…
Bounded plasmas are characterized by a rapid but smooth transition from quasi-neutrality in the volume to electron depletion close to the electrodes and chamber walls. The thin non-neutral region, the boundary sheath, comprises only a small…
Using the Finite Size Scaling Renormalisation Group we obtain the two-dimensional flow diagram of the Blume-Capel model, for S = 1 and S = 3/2. In the first case our results are similar to those of Mean Field Theory, which predicts the…
We carry out Monte-Carlo simulations to discuss critical properties of a classical two-dimensional XY frustrated helimagnet on a square lattice. We find two successive phase transitions upon the temperature decreasing: the first one is…
Quantum Monte Carlo methods are used to calculate various ground state properties of charged bosons in two dimensions, throughout the whole density range where the fluid phase is stable. Wigner crystallization is predicted at $r_s\simeq…
Using molecular dynamics simulations we investigate the ability of an analytical three-dimensional double well in reproducing static and dynamic anomalies found experimentally in liquid water. We find anomalous behavior in the stable region…
Normal states of the attractive Hubbard model, especially in two dimension, are studied in the light of a transition from a Fermi liquid to an insulating or gapped state. A series of variational Monte Carlo calculations with better…