相关论文: Microcanonical Analyses of Peptide Aggregation Pro…
The multicanonical ansatz is used to study variations in the energy landscape of a small peptide, Met-enkephalin, under a change from the ECEPP/2 force field to ECEPP/3. Local minima with energies up to 5 kcal/mol higher than the global…
We summarize and extend some of the results obtained recently for the microscopic and macroscopic behavior of a pinned harmonic chain, with random velocity flips at Poissonian times, acted on by a periodic force {at one end} and in contact…
We use quantum Monte Carlo simulations to determine the finite temperature phase diagram and to investigate the thermal and quantum melting of stripe phases in a two-dimensional hard-core boson model. At half filling and low temperatures…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter…
Investigations of the phase diagram of biaxial liquid crystal systems through analyses of general Hamiltonian models within the simplifications of mean-field theory (MFT), as well as by computer simulations based on microscopic models, are…
The critical behavior of the contact process (CP) in heterogeneous periodic and weakly-disordered environments is investigated using the supercritical series expansion and Monte Carlo (MC) simulations. Phase-separation lines and critical…
We have performed exhaustive multicanonical Monte Carlo simulations of three 12-residue synthetic peptides in order to investigate the thermodynamic and structural properties as well as the characteristic helix-coil transitions. In these…
Symmetry properties of the microcanonical entropy surface as a function of the energy and the order parameter are deduced from the invariance group of the Hamiltonian of the physical system. The consequences of these symmetries for the…
We have recently begun Monte Carlo simulations of the dynamics of stripe phases in the cuprates. A simple model of spinodal decomposition of the holes allows us to incorporate Coulomb repulsion and coherency strains. We find evidence for a…
The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…
We discover a first-order phase transition in the canonical ensemble of random unlabeled networks with a prescribed average number of links. The transition is caused by the nonconcavity of microcanonical entropy. Above the critical point…
Monte Carlo simulation with {\it a-priori} unknown weights have attracted recent attention and progress has been made in understanding (i) the technical feasibility of such simulations and (ii) classes of systems for which such simulations…
Holographic studies of the entanglement entropy of field theories dual to charged and neutral black holes in asymptotically global AdS4 spacetimes are presented. The goal is to elucidate various properties of the quantity that are peculiar…
In a recent paper, arXiv:1309.4877, a holographic p-wave model has been proposed in an Einstein-Maxwell-complex vector field theory with a negative cosmological constant. The model exhibits rich phase structure depending on the mass and the…
We use Monte Carlo and molecular dynamics simulations to study phase behavior and transport properties in a symmetric binary fluid where particles interact via Lennard-Jones potential. Our results for the critical behavior of collective…
We show that entropy is globally concave with respect to energy for a rich class of mean field interactions, including regularizations of the the point-vortex model in the plane, plasmas and self-gravitating matter in 2D, as well as the…
Model chains are studied via Monte Carlo simulations which are deposited with a fixed flux on a substrate. They may represent, e.g., stiff lipophilic chains with an head group and tail groups mimicking the alkyl chain. After some subsequent…
Systematic microcanonical inflection-point analysis of precise numerical results obtained in extensive generalized-ensemble Monte Carlo simulations reveals a bifurcation of the coil-globule transition line for polymers with a bending…
A multicanonical update relation for calculation of the microcanonical entropy $S_{micro}(E)$ by means of the estimates of the inverse statistical temperature $\beta_S$, is proposed. This inverse temperature is obtained from the recently…