相关论文: Autocorrelation study of the {\Theta} transition f…
Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…
The rapid collapse of a polymer, due to external forces or changes in solvent, yields a long-lived `crumpled globule.' The conjectured fractal structure shaped by hierarchical collapse dynamics has proved difficult to establish, even with…
Active matter, responsive ("smart") materials and materials under time-dependent load are systems out of thermal equilibrium. To construct coarse-grained models for such systems, one needs to integrate out a distribution of microstates that…
Elastin-like polypeptides (ELPs) undergo a sharp solubility transition from low temperature solvated phases to coacervates at elevated temperatures, driven by the increased strength of hydrophobic interactions at higher temperatures. The…
A generalised form of time-translation-invariance permits to re-derive the known generic phenomenology of ageing, which arises in classical many-body systems after a quench from an initially disordered system to a temperature $T\leq T_c$,…
Performing Monte Carlo simulations we study the temperature dependent self--organization of magnetic moments coupled to itinerant electrons in a finite--size one--dimensional nanostructure proximitized to a superconducting reservoir. At low…
We here discuss the results of 3d MonteCarlo simulations of a minimal lattice model for gelling systems. We focus on the dynamics, investigated by means of the time autocorrelation function of the density fluctuations and the particle mean…
We study collisional rethermalization in ultracold dipolar thermal gases, made intricate by their anisotropic differential cross sections. Theoretical methods are provided to derive the number of collisions per rethermalization, which for…
We analyze a new Monte Carlo method which uses transition matrix in the space of energy. This method gives an efficient reweighting technique. The associated artificial dynamics is a constrained random walk in energy, producing the result…
Here we present a model of self healing in which correlations between chromophores, as mediated by the polymer, are key to the recovery process. Our model determines the size distribution of the correlation volume using a grand canonical…
Within a recently introduced model based on the bond-fluctuation dynamics we study the viscoelastic behaviour of a polymer solution at the gelation threshold. We here present the results of the numerical simulation of the model on a cubic…
Dynamic phase transition properties of ferromagnetic thin film system under the influence both bias and time dependent magnetic fields have been elucidated by means of kinetic Monte Carlo simulation with local spin update Metropolis…
While temperature is well understood as an intensive quantity in standard thermodynamics, it is less clear whether the same holds in the presence of strong correlations, especially in the case of quantum systems, which may even display…
We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character…
Using the Metropolis algorithm, we simulate the relaxation process of the three-dimensional kinetic Ising model. Starting from a random initial configuration, we first present the average equilibration time across the entire phase boundary.…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with…
Monte Carlo simulations of the two-dimensional XY model are performed in a square geometry with fixed boundary conditions. Using a conformal mapping it is very easy to deduce the exponent eta_sigma(T) of the order parameter correlation…
A new Monte Carlo algorithm is introduced for the simulation of supercooled liquids and glass formers, and tested in two model glasses. The algorithm is shown to thermalize well below the Mode Coupling temperature and to outperform other…
A method for computing the thermopower in interacting systems is proposed. This approach, which relies on Monte Carlo simulations, is illustrated first for a diatomic chain of hard-point elastically colliding particles and then in the case…