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Search Results: 1 - 10 of 461877 matches for " A. Calzolari "
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Surface nano-patterning through styrene adsorption on Si(100)
A. Calzolari,A. Ruini,M. J. Caldas,E. Molinari
Physics , 2005, DOI: 10.1103/PhysRevB.73.125420
Abstract: We present an ab initio study of the structural and electronic properties of styrene molecules adsorbed on the dimerized Si(100) surface at different coverages, ranging from the single-molecule to the full monolayer. The adsorption mechanism primarily involves the vinyl group via a [2+2] cycloaddition process that leads to the formation of covalent Si-C bonds and a local surface derelaxation, while it leaves the phenyl group almost unperturbed. The investigation of the functionalized surface as a function of the coverage (e.g. 0.5 -- 1 ML) and of the substrate reconstruction reveals two major effects. The first results from Si dimer-vinyl interaction and concerns the controlled variation of the energy bandgap of the interface. The second is associated to phenyl-phenyl interactions, which gives rise to a regular pattern of electronic wires at surface, stemming from the pi-pi coupling. These findings suggest a rationale for tailoring the surface nano-patterning of the surface, in a controlled way.
G-quartet biomolecular nanowires
A. Calzolari,R. Di Felice,E. Molinari,A. Garbesi
Physics , 2002, DOI: 10.1063/1.1476700
Abstract: We present a first-principle investigation of quadruple helix nanowires, consisting of stacked planar hydrogen-bonded guanine tetramers. Our results show that long wires form and are stable in potassium-rich conditions. We present their electronic bandstructure and discuss the interpretation in terms of effective wide-bandgap semiconductors. The microscopic structural and electronic properties of the guanine quadruple helices make them suitable candidates for molecular nanoelectronics.
Self-assembled guanine ribbons as wide-bandgap semiconductors
A. Calzolari,R. Di Felice,E. Molinari,a. Garbesi
Physics , 2001, DOI: 10.1016/S1386-9477(02)00343-0
Abstract: We present a first principle study about the stability and the electronic properties of a new biomolecular solid-state material, obtained by the self-assembling of guanine (G) molecules. We consider hydrogen-bonded planar ribbons in isolated and stacked configurations. These aggregates present electronic properties similar to inorganic wide-bandgap semiconductors. The formation of Bloch-type orbitals is observed along the stacking direction, while it is negligible in the ribbon plane. Global band-like conduction may be affected by a dipole-field which spontaneously arises along the ribbon axis. Our results indicate that G-ribbon assemblies are promising materials for biomolecular nanodevices, consistently with recent experimental results.
Ab-initio study of model guanine assemblies: The role of pi-pi coupling and band transport
R. Di Felice,A. Calzolari,E. Molinari,A. Garbesi
Physics , 2001, DOI: 10.1103/PhysRevB.65.045104
Abstract: Several assemblies of guanine molecules are investigated by means of first-principle calculations. Such structures include stacked and hydrogen-bonded dimers, as well as vertical columns and planar ribbons, respectively, obtained by periodically replicating the dimers. Our results are in good agreement with experimental data for isolated molecules, isolated dimers, and periodic ribbons. For stacked dimers and columns, the stability is affected by the relative charge distribution of the pi orbitals in adjacent guanine molecules. pi-pi coupling in some stacked columns induces dispersive energy bands, while no dispersion is identified in the planar ribbons along the connections of hydrogen bonds. The implications for different materials comprised of guanine aggregates are discussed. The bandstructure of dispersive configurations may justify a contribution of band transport (Bloch type) in the conduction mechanism of deoxyguanosine fibres, while in DNA-like configurations band transport should be negligible.
CP Violation and K0 decays revelation: study and simulation of neutral Trigger in NA48 experiment -- Violazione di CP e rivelazione dei decadimenti del K0: studio e simulazione del Trigger neutro nell'esperimento NA48
Federico Calzolari
Physics , 2007,
Abstract: At the INFN laboratory in Pisa I have prepared my dissertation, which essentially concerned Montecarlo simulation of subnuclear particles decays and investigation of low-noise electronic devices for analyzing high-frequency signals. The team-work was part of NA48/EPSI experiment jointly carried out with European Organization for Nuclear Research CERN, Geneva. ----- Nell'ambito dell'esperimento NA48 in corso al CERN Super Proton Syncrothon (SPS) finalizzato a misurare la violazione diretta di CP in sistemi di particelle K0 attraverso il doppio rapporto R = [N(K_L->Pi0Pi0)]/[N(K_S->Pi0Pi0)] / [N(K_L->Pi+Pi-)]/[N(K_S->Pi+Pi-)] = 1 - 6 Re(e1/e) con una precisione di Re(e1/e) superiore a 2 * 10^-4, il lavoro di tesi si propone di effettuare una simulazione per la rivelazione dei decadimenti neutri dei K0 ed una successiva analisi dei dati raffrontando l'evento fisico generato con metodo Montecarlo e quello ricostruito. Per la misura di e1/e occorre isolare tra i vari modi di decadimento dei K quelli K_S->Pi0Pi0, K_S->Pi+Pi-, e quelli K_L->Pi0Pi0, K_L->Pi+Pi-.
High availability using virtualization
Federico Calzolari
Computer Science , 2009,
Abstract: High availability has always been one of the main problems for a data center. Till now high availability was achieved by host per host redundancy, a highly expensive method in terms of hardware and human costs. A new approach to the problem can be offered by virtualization. Using virtualization, it is possible to achieve a redundancy system for all the services running on a data center. This new approach to high availability allows to share the running virtual machines over the servers up and running, by exploiting the features of the virtualization layer: start, stop and move virtual machines between physical hosts. The system (3RC) is based on a finite state machine with hysteresis, providing the possibility to restart each virtual machine over any physical host, or reinstall it from scratch. A complete infrastructure has been developed to install operating system and middleware in a few minutes. To virtualize the main servers of a data center, a new procedure has been developed to migrate physical to virtual hosts. The whole Grid data center SNS-PISA is running at the moment in virtual environment under the high availability system. As extension of the 3RC architecture, several storage solutions have been tested to store and centralize all the virtual disks, from NAS to SAN, to grant data safety and access from everywhere. Exploiting virtualization and ability to automatically reinstall a host, we provide a sort of host on-demand, where the action on a virtual machine is performed only when a disaster occurs.
Effective and accurate representation of extended Bloch states on finite Hilbert spaces
Luis A. Agapito,Andrea Ferretti,Arrigo Calzolari,Stefano Curtarolo,Marco Buongiorno Nardelli
Physics , 2013, DOI: 10.1103/PhysRevB.88.165127
Abstract: We present a straightforward, noniterative projection scheme that can represent the electronic ground state of a periodic system on a finite atomic-orbital-like basis, up to a predictable number of electronic states and with controllable accuracy. By co-filtering the projections of plane-wave Bloch states with high-kinetic-energy components, the richness of the finite space and thus the number of exactly-reproduced bands can be selectively increased at a negligible computational cost, an essential requirement for the design of efficient algorithms for electronic structure simulations of realistic material systems and massive high-throughput investigations.
Spontaneous polarization and piezoelectricity in boron nitride nanotubes
S. M. Nakhmanson,A. Calzolari,V. Meunier,J. Bernholc,M. Buongiorno-Nardelli
Physics , 2003, DOI: 10.1103/PhysRevB.67.235406
Abstract: Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The intrinsic chiral symmetry of the nanotubes induces an exact cancellation of the total spontaneous polarization in ideal, isolated nanotubes of arbitrary indices. Breaking of this symmetry by inter-tube interaction or elastic deformations induces spontaneous polarization comparable to those of wurtzite semiconductors.
Enlargement of filtration and predictable representation property for semi-martingales
Antonella Calzolari,Barbara Torti
Mathematics , 2013,
Abstract: We present two examples of loss of the predictable representation property for semi-martingales by enlargement of the reference filtration. First of all we show that the predictable representation property for a square-integrable semi-martingale X does not transfer from the reference filtration F to a larger filtration G when the information starts growing up to a positive time. Then we study the case when F coincides with the natural filtration of X and G is obtained by adding the natural filtration of a second square-integrable semi-martingale, Y. We establish conditions under which the triplet (X,Y,[X,Y]) enjoys the predictable representation property with respect to G.
Proxy dynamic delegation in grid gateway
Federico Calzolari,Daniele Licari
Computer Science , 2012,
Abstract: Nowadays one of the main obstacles the research comes up against is the difficulty in accessing the required computational resources. Grid is able to offer the user a wide set of resources, even if they are often too hard to exploit for non expert end user. Use simplification has today become a common practice in the access and utilization of Cloud, Grid, and data center resources. With the launch of L-GRID gateway, we introduced a new way to deal with Grid portals. L-GRID is an extremely light portal developed in order to access the EGI Grid infrastructure via Web, allowing users to submit their jobs from whatever Web browser in a few minutes, without any knowledge about the underlying Grid infrastructure.
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