Related papers: Amino acid chiral amplification using Monte Carlo …
Active matter describes materials whose constituents are driven out of equilibrium by continuous energy consumption, for instance from ATP. Due to the orientable character of the constituents, active suspensions can attain liquid…
A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…
We present Monte Carlo simulations on a lattice system that displays a first order phase transition between a disordered phase (liquid) and an ordered phase (crystal). The model is augmented by an interaction that simulates the effect of…
Kinetic Monte-Carlo simulation is applied to study the partial oxidation of methane over a nickel catalyst. Based on the Langmuir-Hinshelwood mechanism, the kinetic behavior of this reaction is analyzed and the results are compared with…
We propose a method to reduce the relaxation time towards equilibrium in stochastic sampling of complex energy landscapes in statistical systems with discrete degrees of freedom by generalizing the platform previously developed for…
Enantio-conversion with the help of electromagnetic fields is an essential issue due to the chirality-dependence of many chemical, biological, and pharmaceutical processes. Here, we propose a method for this issue based on a five-level…
We present a novel Ensemble Monte Carlo Growth method to sample the equilibrium thermodynamic properties of random chains. The method is based on the multicanonical technique of computing the density of states in the energy space. Such a…
Lyotropic cholesteric liquid crystal phases are ubiquitously observed in biological and synthetic polymer solutions, characterized by a complex interplay between thermal fluctuations, entropic and enthalpic forces. The elucidation of the…
We introduce a Monte Carlo model of nonlinear diffusive shock acceleration allowing for the generation of large-amplitude magnetic turbulence. The model is the first to include strong wave generation, efficient particle acceleration to…
New hybrid Molecular Dynamics-Monte Carlo methods are proposed to increase the efficiency of constant-pressure simulations. Two variations of the isobaric Molecular Dynamics component of the algorithms are considered. In the first, we use…
Understanding the spatio-temporal evolution of radiolytic species created by high-energy electrons in water underpins key applications from radiotherapy and nuclear safety to environmental processing and electron microscopy. Here, using the…
We study critical dynamics and phase-ordering kinetics in Active Model B (AMB) and its minimal extension, Active Model B$+$ (AMB$+$), using deterministic simulations in two dimensions. At criticality $r_c=0$, both models display identical…
We study the chirally imbalanced hot and dense strongly interacting matter by means of the Dyson-Schwinger equations (DSEs). The chiral phase diagram is studied in the presence of chiral chemical potential $\mu_5$. The chiral quark…
Pre-calculated libraries of molecular fragment configurations have previously been used as a basis for both equilibrium sampling (via "library-based Monte Carlo") and for obtaining absolute free energies using a polymer-growth formalism.…
Magnetic effects on chiral phase transition have been investigated in a modified soft-wall AdS/QCD model, in which the dilaton field is taken to be negative at the ultraviolet region and positive at the infrared region as in…
We investigate the chiral phase transition in the strong coupling lattice QCD at finite temperature and density with finite coupling effects. We adopt one species of staggered fermion, and develop an analytic formulation based on strong…
We study the over-damped dynamics of individual one-dimensional elastic filaments subjected to a chiral active force which propels each point of the filament at a fixed angle relative to the tangent vector of the filament at that point.…
Liquid-liquid phase separation of liquids exhibiting interconversion between alternative states has been proposed as an underlying mechanism for fluid polyamorphism, and may be of relevance to protein function and intracellular…
As the matter produced in a relativistic heavy ion collision cools through the QCD phase transition, the dynamical evolution of the chiral condensate will be driven out of thermal equilibrium. As a prelude to analyzing this evolution, and…
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also…