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T. Celik

Publications and source records attributed to T. Celik.

6 recordsLinked to original sources
arXiv2007

The structure of the free energy surface of coarse-grained off-lattice protein models

We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model to study the structure and the topology of the energy surface. The multicanonical method samples the whole rugged energy landscape, in particular the low-energy part, and enables one to better understand the critical behaviors and visualize the folding pathways of the considered protein model.

cond-mat.soft↗
arXiv2007

Solvation Effects on Free Energy Surface of Polyalanine

We have simulated 10-residue polyalanine chain by multicanonical method to visualize the 3D topographic picture of the free energy landscape over the whole range of temperatures, hence to show the funnel along the folding pathway exhaustively. We have simulated and compared the system in vacuo and in solvent, and examined the changes in the free energy landscape due to the solvent effects, which are taken into account by commonly used model Accessible Surface Area.

cond-mat.soft↗
arXiv2002

Structure of the Energy Landscape of Short Peptides

We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and investigate the conformational coverage by the multicanonical method. We have obtained a three-dimensional topographic picture of the whole energy landscape by plotting the histogram with respect to energy(temperature) and the order parameter, which gives the degree of resemblance of any created conformation with the global energy minimum (GEM).

cond-mat.stat-mech↗
arXiv1992

Multicanonical Study of the 3D Ising Spin Glass

We simulated the Edwards-Anderson Ising spin glass model in three dimensions via the recently proposed multicanonical ensemble. Physical quantities such as energy density, specific heat and entropy are evaluated at all temperatures. We studied their finite size scaling, as well as the zero temperature limit to explore the ground state properties.

cond-mat↗
arXiv1992

Multicanonical Spin Glass Simulations

We report a Monte Carlo simulation of the $2D$ Edwards-Anderson spin glass model within the recently introduced multicanonical ensemble. Replica on lattices of size $L^2$ up to $L=48$ are investigated. Once a true groundstate is found, we are able to give a lower bound on the number of statistically independent groundstates sampled. Temperature dependence of the energy, entropy and other quantities of interest are easily calculable. In particular we report the groundstate results. Computations involving the spin glass order parameter are more tedious. Our data indicate that the large $L$ increase of the ergodicity time is reduced to an approximately $V^3$ power law. Altogether the results suggest that the multicanonical ensemble improves the situation of simulations for spin glasses and other systems which have to cope with similar problems of conflicting constraints.

hep-lat↗