Search results for "CAPE"
showing 10 items of 1938 documents
Latvijas Vēstures Institūta Žurnāls. 2015, Nr. 2 (95)
2015
Valsts kultūrkapitāla fonds
Dynamical properties of myoglobin in an ultraviscous water-glycerol solvent investigated with elastic neutron scattering and FTIR spectroscopy
2018
Abstract Proteins have distinctive dynamical properties, characterized by the fluctuations of protein molecules among the different minima of their energy landscape. These fluctuations, progressively activated for temperature values larger than ~180 K, lead to a steep increase in the temperature dependence of all measurable dynamical properties. This phenomenon is known as Protein Dynamical Transition and, in spite of the intense studies due to its importance in protein function and to the relation with the fascinating fundamental thermodynamics of complex systems, many aspects of it are not yet clearly understood. Among these, the relationship with the properties of the external solvent an…
Force probe simulations using an adaptive resolution scheme
2021
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In force probe molecular dynamics (FPMD) simulations, one pulls one end of the molecule with a constant velocity in order to induce the relevant conformational transitions. Since the extended configuration of the system has to fit into the simulation box together with the solvent such simulations are very time consuming. Here, we apply a hybrid scheme in which the solute is treated with atomistic resolution and the solvent molecules far away from the solute a…
Temperature dependent optical properties of stacked InGaAs/GaAs quantum rings
2008
4 páginas, 3 figuras, 2 tablas.-- MADICA 2006 Conference, Fifth Maghreb-Europe Meeting on Materials and their Applicatons for Devices and Physical, Chemical and Biological Sensors
Limits of stability in supported graphene nanoribbons subject to bending
2016
Graphene nanoribbons are prone to in-plane bending even when supported on flat substrates. However, the amount of bending that ribbons can stably withstand remains poorly known. Here, by using molecular dynamics simulations, we study the stability limits of 0.5-1.9 nm wide armchair and zigzag graphene nanoribbons subject to bending. We observe that the limits for maximum stable curvatures are below ~10 deg/nm, in case the bending is externally forced and the limit is caused by buckling instability. Furthermore, it turns out that the limits for maximum stable curvatures are also below ~10 deg/nm, in case the bending is not forced and the limit arises only from the corrugated potential energy…
Stopover strategies in birds: a review of methods for estimating stopover length
1999
This study categorizes and reviews methods used to estimate stopover length in migratory birds. Stopover length is an important variable in analysing migration strategies. The analysis of the stopover pattern of migratory birds typically attempts to investigate variability in the number of stopovers and in the length of time spent at stopover sites in relation to species, age, sex and body condition. Although the number of capture-recapture studies analysing stopover length has increased substantially, most are analysed using the simple last-first capture method which gives biased estimates. The use of mathematical models to calculate stopover length is uncommon. Most researchers assume hom…
Shaping communities of local optima by perturbation strength
2017
Recent work discovered that fitness landscapes induced by Iterated Local Search (ILS) may consist of multiple clusters, denoted as funnels or communities of local optima. Such studies exist only for perturbation operators (kicks) with low strength. We examine how different strengths of the ILS perturbation operator affect the number and size of clusters. We present an empirical study based on local optima networks from NK fitness landscapes. Our results show that a properly selected perturbation strength can help overcome the effect of ILS getting trapped in clusters of local optima. This has implications for designing effective ILS approaches in practice, where traditionally only small per…
Communities of Local Optima as Funnels in Fitness Landscapes
2016
We conduct an analysis of local optima networks extracted from fitness landscapes of the Kauffman NK model under iterated local search. Applying the Markov Cluster Algorithm for community detection to the local optima networks, we find that the landscapes consist of multiple clusters. This result complements recent findings in the literature that landscapes often decompose into multiple funnels, which increases their difficulty for iterated local search. Our results suggest that the number of clusters as well as the size of the cluster in which the global optimum is located are correlated to the search difficulty of landscapes. We conclude that clusters found by community detection in local…
Memetic Variation Local Search vs. Life-Time Learning in Electrical Impedance Tomography
2009
In this article, various metaheuristics for a numerical optimization problem with application to Electric Impedance Tomography are tested and compared. The experimental setup is composed of a real valued Genetic Algorithm, the Differential Evolution, a self adaptive Differential Evolution recently proposed in literature, and two novel Memetic Algorithms designed for the problem under study. The two proposed algorithms employ different algorithmic philosophies in the field of Memetic Computing. The first algorithm integrates a local search into the operations of the offspring generation, while the second algorithm applies a local search to individuals already generated in the spirit of life-…
Energy and entropy barriers of two-level systems in argon clusters: An energy landscape approach
1999
Abstract Free argon clusters containing up to 160 atoms have been studied by means of a numerical algorithm for finding thousands of adjacent minima connected through a first-order saddle point. Many minimum-saddle-minimum systems have been found to be good candidates for forming two-level systems. The ground state splitting has been evaluated by taking into account both energy and entropy barriers. The role of the latter in auenching or enhancing the ground state splitting is discussed with the aid of a simple model potential.