Zannoni Liquid Crystal Group Seminars, Bologna University Physical Chemistry 2009

Zannoni Liquid Crystal Group Seminars

Seminars are are currently organized by Dott. Lara Querciagrossa.

Seminars are held (except when explicitly indicated otherwise) in ex Biblioteca di Chimica Fisica, Dipartimento di Chimica Industriale "Toso Montanari", Viale Risorgimento,4, Bologna. Everybody is welcome!

Friday 18 November 2016

Prof. Hiroyuki Yoshida,

Division of Electrical, Electronic and Informational Engineering,

Osaka University, Japan

"Fabrication and control of colloidal particles in liquid crystals"

Claudio Zannoni web page

20 April 2015, 14:00 Biblioteca di Chimica Fisica, Dr. Bernd Ensing, Van 't Hoff Institute for Molecular Sciences - University of Amsterdam, NL, "Molecular simulation of complex transitions":abstract
Mon 30 March 2015, 14,30 Aula 3 Andrea Lorenzoni, Institute of Nanostructured Materials (ISMN), CNR, Bologna, "Nanoscale morphology at the dielectric/semiconductor interface in organic field-effect transistors" abstract

Wed. 28 Feb 2013, Aula 2, at 12,00 Prof. Gian Luigi Bendazzoli, P.A.M. , Dipartimento di Chimica Industriale "Toso Montanari", “The position spread. A quantity revealing transitions in the molecular wave function: metal - insulator, charge transfer, bond breaking...”
8 June 2012 at 12.00, Aula 9, Prof. Stephan Holger Eichhorn, Department of Chemistry and Biochemistry, University of Windsor, Windsor, ON, Canada N9B 3P4, “Columnar Mesophases of Discotic Molecules as Organic Semiconductors Progress, Limitations, and New Directions”Abstract
6 June 2012 at 15.00, Aula 9, Prof. Dirk Blunk,Universitaet zu Koeln, Institut fuer Organische Chemie:"Supramolecular Materials From Liquid Crystals and Surfactants"
16 March 2012 at 12.00, Aula 3 Prof. Paul Kouwer, Institute of Molecules and Materials, Radboud University of Nijmegen (NL)“Ionic Liquid Crystals: towards tunable water?”

12 September 2011 at 14.30, Aula 3, Dr. Dr. Hitomi Nomura, Koda Lab, Graduate School of Science and Engineering, Yamagata University, JAPAN , “Computing Chemical Potential using the Phase Space Multihistogram Method”.

Abstract We present a new simulation method to calculate the free energy and the chemical potential of hard particle systems. The method relies on the introduction of a parameter dependent potential to smoothly transform between the hard particle system and the corresponding ideal gas. We applied the method to study the phase transition behavior of monodispersed infinitely thin square platelets. First, we equilibrated the square platelet system for different reduced pressures with a usual isobaric Monte Carlo (MC) simulation and obtained a reduced pressure-chemical potential plot. Then we introduce the parametrized potential to interpolate the system between theideal gas and the hard particles. After selecting the potential, we performed isochoric MC runs, ranging from the ideal gas to the hard particle limit.Through an iterative procedure, we compute the free energy and the chemical potential of the square platelet system by evaluating the volume of the phase space attributed to the hard particles, and then we find the coexistence pressure of the system. Our method provides an intuitive approach to investigate the phase transitions of hard particle systems.

25 May 2011 at 15.00, Aula 3, Dr. Victor Geskin, Service de Chimie des Matériaux Nouveaux, Université de Mons, Belgium,“Modeling the behavior of organic molecules at and between inorganic surfaces: quantum chemistry at experimentalists' service.”
18 May 2011 at 15.00, Aula 3, Prof. Mark Wilson, Department of Chemistry, University of Durham, United Kingdom:“New insights from molecular simulation: understanding self assembly and generating chirality from achiral systems.”
1 February 2011 at 14.30, Aula 2, Dr.Julien Idé, Université de Bordeaux, Institut des Sciences Moléculaires, Bordeaux, France:"Supramolecular Organization and Charge Transport Properties of Self-Assembled Pi-Pi Stacks of Perylene Diimide Dyes"

9 December 2010 at 15.00, Aula 3, Prof. Dean R. Evans, Air Force Research Laboratory, Materials and Manufacturing Directorate,
Wright-Patterson Air Force Base, Ohio, USA: "Making the World's Smallest Ferroelectric Nanoparticles"
6 December 2010 at 15.00, Aula 2, Prof. Paolo Samorì, Institut Universitaire de France, Deputy Director Institut de Science et d'Ingénierie Supramoléculaires (I.S.I.S.), Université de Strasbourg & CNRS, Strasbourg (France) :"Nanochimica: da singole molecole a materiali supramolecolari multifunzionali"
8 November 2010 at 15.00, Aula 2, Prof. Charles Rosenblatt, Case Western Reserve University, Cleveland, OH, USA : "Surface chirality and liquid crystals". Abstract: Chirality and its consequences, such as optical rotatory power, most often occur when inversion symmetry is absent in the constituent components, such as molecules or self-assembled structures. But this is not an absolute requirement: Achiral molecules have been shown to self-organize into macroscopically chiral phases, and chiral molecules such as DNA have been used as templates to induce chirality in inherently achiral materials. In this talk I will discuss how we mechanically generate chirality in two dimensions, with consequences at the molecular level, by nanoscribing a polymer-coated substrate. Here 2D chirality is defined as the inability to superpose an object onto its mirror image by rotation and translation within a plane; the letter “F” is chiral in 2D, whereas the letter “E” is achiral. We then coat the scribed surface with a liquid crystal and, by measuring the molecular rotation as a function of applied field -- this is the so-called "electroclinic effect" -- we demonstrate not only the existence of mechanically generated surface chirality, but also determine its relative strength. In a related project, we demonstrate and quantify how carbon nanotubes can induce bulk chiral effects in a neighboring achiral liquid crystal, including an electroclinic effect and a bulk twist distortion in the nematic phase.
25 October 2010 at 14.00, Biblio Chimica Fisica, Prof. Mikhail Osipov, Head of the Continuum Mechanics and Liquid Crystal Group, Department of Mathematics, University of Strathclyde, UK: "Possibility of ferroelectric ordering in the chiral biaxial nematic phase"
4 June 2010 at 14.00, Aula 3 Dr. Francesca Costanzo, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: "Application of plane-wave DFT approaches to solid state and biochemistry studies"
26 April 2010 at 15.00, Dr. Yoann Olivier , Laboratory for Chemistry of Novel Materials, University of Mons-Hainaut, BE: "Molecular Insights on Charge Transport in Conjugated Materials for Applications in Organic Electronics"

22 March 2010 at 15.00, Aula 1: Dr. Jan Lagerwall, Martin-Luther-University Halle-Wittenberg, Institute of Chemistry - Physical Chemistry (http://www.lcsoftmatter.com): "Ordered fluids in new geometries: electrospinning and microfluidics with liquid crystals"

19 February 2010 at 15.00: Dr. Gabriele D'Avino, Dipartimento di Chimica GIAF, Universita' di Parma: "Cooperativity from charge transfer, phonons and electrostatic interactions in functional molecular materials"

10 February 2010 at 15.00: Dr. Antonia Vyrkou, Computational Materials Science and Engineering Group, Department of Materials Science and Engineering, National Technical University of Athens, GR: "Atomistic simulations of 5CB, in the bulk, in a binary and a ternary system"

15 December 2009 at 15.00, Aula 3: Dr. Giorgio Cinacchi, School of Chemistry, University of Bristol , Bristol, UK: "Comportamento di fase di particelle discoidali, concave e infinitamente sottili: una competizione, regolata dall'entropia, tra separazione isotropo-nematica e formazione di aggregati"
5 June 2009 at 11.00: Prof. Vladimir Laukhin, Consejo Superior de Investigaciones Científicas and ICREA, Institució Catalana de Recerca & Estudis Avancats, Barcelona, Spain: "Flexible high tensoresistive all-organic bi-layer films exploiting the soft structure of organic molecular conductors."

21 May 2009 at 11.00: Dr. Enzo Palermo, Istituto di Sintesi Organica e Fotoreattività (CNR-BO) · Consiglio Nazionale delle Ricerche - Bologna: "Self-assembly of organic semiconductors and their characterization with Scanning Probe Microscopy: visualizing photovoltaic effect at the nanoscale"

15 May 2009 at 11.00, Aula 3: Dr. Adriana Pietropaolo, ETH Zurich, Computational Science, Lugano, Switzerland and Università di Catania, : "Free energy landscape using metadynamics: unravelling the different stability of the D-Trehalose bound to L and D-carnosine forming copper(II) dimers"
6 May 2009 at 11.00, Aula 3, Prof. Mikhail Osipov, Head of the Continuum Mechanics and Liquid Crystal Group, Department of Mathematics, University of Strathclyde, UK: "General formulae for Frank elastic constants. How are they derived?"
29 April 2009 at 15.00: Dr. Sameet K. Shriyan, Nanosoft Lab, Dept. of ECE, Drexel University, Philadelphia, PA, USA, "Improved electro-optical response of PDLC doped with oxidised multi-wall nanotubes"
29 April 2009 at 11.00, Dr. Otello M. Roscioni , Department of Chemistry, University of Southampton (UK), "A Close Look at Heterogeneous Catalysts, using Theoretical Simulations of Surface Species"
22 April 2009 at 15.00, Dr. Enrico Da Como, Photonics and Optoelectronics Group, Department of Physics and CeNS,
Ludwig-Maximilians-Universität, Munich (Germany), "Revisiting charge transfer excitons: the case of conjugated polymers mixed with fullerenes"
28 January 2009 at 15.00, Dr. Emel Kilit, Department of Physics, Middle East Technical University, Ankara, Turkey, "Analyzing properties close to the phase transitions in some liquid crystals"
9 December 2008 at 12.00, Prof. Raffaele Guido Della Valle, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna,"Crystal Structure Prediction
23 October 2008 at 15.30, Aula 8 : Dr. Juho Lintuvuori, Department of Chemistry, University of Durham, UK, "Soft-core interaction model for coarse grained simulations of liquid crystals and self-organising soft materials"
15 October 2008 at 11.00, Aula 8 "Padoa": Dr. Masanao Goto, "Takezoe and Ishikawa Lab", Department of Organic and Polymeric Materials Tokyo Institute of Technology, Japan, "Carrier transport simulation in the system of the biaxial Gay-Berne potential"
16 June 2008 at 11.00: Dr. Kenji Kiyohara, Senior Research Scientist, Artificial Cell Research Group, Research Institute for Cell Engineering, AIST, Osaka, Japan, Molecular Simulations of interfaces. Surface anchoring of Liquid Crystals and voltage-induced stress in porous electrodes.
8 April 2008 at 12.00, Aula 8: Dr.Philippe Marsal , Laboratory for the Chemistry of Novel Materials, Université de Mons-Hainaut, Belgium, "Theoretical study of Triplet excited states in Oligothiophenes"
28 March 2008 at 15.00, Aula 8: Dr. Patrick Brocorens, Service de Chimie des Matériaux Nouveaux, Université de Mons-Hainaut and ASPO (Association for the Study of Peak Oil and Gas) Belgium, "Do the high oil prices signal that we have reached Peak Oil?"
19 March 2008 at 14.30: Dr. Adriana Pietropaolo, Dipartmento di Chimica, Università di Catania, "Structure Determination of proteins and peptides in solution: Simulation, Chirality and NMR studies"
20 February 2008 at 11.00: Prof. Mark R. Wilson, Department of Chemistry, University of Durham, UK, "Computer simulations of soft self-organising molecular materials" (abstract)
16 January 2008 at 12.00: Dr. Patrick Brocorens, Service de Chimie des Matériaux Nouveaux, Université de Mons-Hainaut, Belgium: "Modelling of the

Supramolecular Organization of Thiophene-based Oligomers".
21 November 2007 at 11.00: Dr. Antonio Pizzirusso, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: "Computer simulation of solutes in a nematic solvent".
26 October 2007 at 15.00: Dr. Antonio Monari, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: "High level computation on small systems: 1) Lithium Clusters and the 'no-pair' bonding. 2) The Precursor of Metal Insulator Transition in Li chains.".
20 September 2007 at 12.00: Dr. Domenico Summa, Dipartimento di Neuroscienze, Sez. Farmacologia, Università di Siena: "Protein-thiol substitution or protein dethiolation by sh/ss exchange Reactions: the albumin model".
20 July 2007 at 12.00: Dr. Saeedeh Shoarinejad, Department of Physics, Isfahan University (IR): " Guest-host interaction of some dye molecules dopant in liquid crystalline matrix".
13 July 2007 at 15.00: Dr. Kashma Rai, Department of Electrical and Computer Engineering, Drexel University, Philadelphia (US): Innovative Electro Optic Applications and Morphological Studies of Holographic Polymer Dispersed Liquid Crystals.
30 May 2007 at 15.00, Aula 2: Dr. Anke Hoffmann, Institut fuer Makromolekulare Chemie Albert-Ludwigs-Universitaet Freiburg: 2H NMR Studies on Phase Biaxiality in Side-Chain Liquid Crystalline Elastomers.
24 April 2007 at 10.30 : Dr. Francesca Costanzo, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: Dinamica molecolare ab initio applicata a molecole in soluzione e chemisorbite su superfici.
9 March 2007 at 15.00, Aula 2 : Dr. P. Marsal, Laboratory for Photochemistry & Spectroscopy, Chemistry Department, Katholieke Universiteit Leuven (BE): How a theoretical chemist can help a spectroscopist. Two experimental problems.
22 February 2007 at 11.00, Prof. M. Osipov, Department of Mathematics, University of Strathclyde, Glasgow (UK): Molecular models for SmA-Sm C phase transiton: de Vries behaviour and the role of biaxiality.
7 February 2007 at 11.00, Dr. Marco Giorgetti, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: Spettroscopia di Assorbimento di Raggi X come sonda strutturale: Introduzione ed Esempi.
6 December 2006 at 11.00, Dott.sa Adriana Pietropaolo, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: Computational approaches for determining the secondary structures of peptides and proteins: MD and chirality studies
29 November 2006 at 12.00, Dr. Roberto Berardi, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: Computer simulations techniques for Free Energy computations
17 November 2006 at 11.00, Dott. Matteo Savini, Dipartimento di Scienze e Tecnologie Agroambientali (DiSTA), Università di Bologna, "Ureg e Ured: Approccio molecolare e computazionale per lo studio di proteine accessorie dell' Ureasi"
3 November 2006 at 10.30, Dott. Gouripeddi Sai Preeti, School of Physics, University of Hyderabad, India, "A non-Boltzmann Monte Carlo simulation of hybrid films"
18 October 2006 at 10.00, Dipartimento di Fisica, via Irnerio, 46, Sala Riunioni : Dott. Giustiniano Tiberio, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, "Azobenzene photoisomerization: modelling and simulations"
25 September 2006 at 15.00, Dr. Tobias Cramer, Institut für Physikalische Chemie, Universität Freiburg, DE: "From to : simulation of charge transfer in DNA and related materials"
14 July 2006 at 15.00, Dr. Gregor Skacej, Department of Physics, University of Ljubljana, Slovenia, Lattice modeling of liquid crystalline elastomers.
29 June 2006 at 15.00, Dr. Silvia Orlandi, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, Molecular models for mesogenic fullerene derivatives.
12 May 2006 at 15.00, Aula 2 Facoltà Chimica Industriale, Dr. Yoann Olivier , Laboratory for Chemistry of Novel Materials, University of Mons-Hainaut, BE.Monte Carlo simulations of charge transport in conjugated materials: linking the molecular and macroscopic visions.
7 March 2006 at 15,00 Prof. Gianni Bendazzoli, Dipartimento di Chimica Fisica e Inorganica, Univ. Bologna: Metodi CI di calcolo di forze intermolecolari
17 February 2006 at 11,00, Aula 2. Prof. Pino Milano, MoLNaC (Modeling Lab for Nanostructures and Catalysis), Dipartimento di Chimica Università di Salerno: Metodi Multiscala per la Simulazione di Materiali Polimerici
26 January 2006 at 12,00, Aula 3. Prof. Riccardo Tarroni, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna: (I)Tecniche 13C NMR per lo studio di probes in cristalli liquidi (II) Studio di clusters di SiO2 per mezzo di metodi ab initio
14 December 2005 at 12,00 Dr. Marialore Sulpizi, Cambridge University Centre for Computational Chemistry, Department of Chemistry, University of Cambridge, UK : Ab Initio Molecular Dynamics Simulations of Redox Reactions: The Marcus Perspective
- Electron transfer reactions are among the most fundamental chemical processes and are crucial in a number of important biological processes, such as photosynthesis and cell respiration. Nature and chemists alike have been tuning electron donor (D) and acceptor (A) sites or their environments to obtain ET rates and relative D-A stabilities optimized for a particular task. Here we employ an atomistic theoretical approach based on molecular mechanics and ab initio molecular mechanics to quantitative predicts the effects of such modifications on parameters that control the ET within the Marcus theory perspective. In particular examples of ruthenium-amine complexes and quinones in different solvents will be discussed. Our work confirms recent experiments and helps to rationalize the differences in redox potentials and reorganization energies due to chemical substitutions and changes in the environments.
30 November 2005 at 15,00: Dott . Giustiniano Tiberio, Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, Simulazioni atomistiche e cristalli liquidi: quello che gli altri non dicono!
3 November 2005, at 12,00: Dr. Corrado Bacchiocchi, INSTM and Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, Intra vs. inter-molecular energy transfer in a condensed phase formed by trifluorene molecules end-capped with perylene. A Computer Simulation approach
19 September 2005, at 15.00: Mr. Sholto McLaren, Self-Organising Molecular Systems centre, University of Leeds, UK, "Discotic liquid crystals, polymers and the complimentary polytopic interaction"
22 July 2005; 15.00 Dott. Marco Mazzeo, "Acceleration strategies for molecular simulations."
27 June 2005, at 15.00: Dott.sa Ilaria Vecchi, "Effect of trans and cis azobenzene-derivatives on a liquid crystal matrix. An ESR study."
19 May 2005, at 11,00: Dr. Ozhan Kayacan, Celal Bayar University, Muradiye, Manisa, Turkey, "Tsallis statistics and its application to nematic liquid crystals."
22 April 2005, at 15,00: Dott. Davide Micheletti, Dipartimento di Chimica Fisica, Università di Bologna, "Constant Force Monte Carlo Simulations"
22 February 2005 at 15,00: Dr. Francesca Costanzo, Dipartimento di Chimica Fisica, Università di Bologna,
"Cation-Pi interaction betweeen Phenylalanine and Na+ cation in water: from classical MD to ab initio MD"
18 January 2005, 15,30: Dr. Luca Muccioli, Dipartimento di Chimica Fisica, Università di Bologna, "Soft molecular models for liquid crystals",

4 December 2004 at 16.00: Dr. Matteo Ricci, Dipartimento di Chimica Fisica, Università di Bologna,
"The Grid approach to large scale scientific simulations".
8 October, 2004 at 11: Dottsa. Adriana Pietropaolo, Dipartimento di Scienze Chimiche, Università di Catania, Copper(II) complexes with chicken prion repeats. Influence of Proline and Tyrosine residues on the coordination features
25 March 2004 at 14.30: Prof. Greg P. Crawford, Division of Engineering, Brown University, Providence, RI, USA, on sabbatical leave at Technical University of Eindhoven, The Netherlands, Carbon Nanofibrils and Nanotubes from Lyotropic Liquid Crystals

The presentation focuses on the fabrication of nano-structures using lyotropic liquid crystals with discotic shaped molecules in which the orientation of the grapheme layers can be manipulated using surface anchoring techniques. It will also be shown how to create patterned arrays of nanotubes using a pen writable technique and some of the work at Brown University on continuous surface boundary conditions created through a holographic exposure process of linear photopolymerizable polymer (LPP) alignment layers.

11 March , 2004 at 15.00: Dr. Baltzar Stevensson of the Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, Determination of Molecular Structure and Order in Liquid Crystals by NMR.

10 December, 2003 at 11.00: Prof. Jacqueline. Quintana (Instituto de Quimica, Universidad Nacional Autonoma de Mexico), Two-dimensional model for mixtures of enantiomers, hard bent needles: a Monte Carlo simulation
16 October, 2003: Dr. Emmanuelle Hennebicq (Dept. Chimie des Matériaux Nouveaux, Université de Mons-Hainaut, Belgium) "Intra- and Inter-chain Energy Transfer Processes in an end-capped Conjugated Polymer".

22 November, 2002, 12:00: Dr. Tim Payne, (Dip. di Chimica Fisica ed Inorganica, Univ. Bologna), Calculation of Viscosities of a Gay-Berne Fluid by Molecular Dynamics Simulation".
23 September 2002, 12:00: Prof. Jamshed Anwar, (King's College London), Phase equilibria from molecular simulation.

31 May 2002, 15:30: Dr. Fabio Biscarini, CNR ISMN (Institute for Nanostructured Materials Studies), Bologna: Film sottili e nanostrutture per l'elettronica molecolare

29 May 2002, 13:00 Mr. Fred Barmes, Dept. of Physics, Sheffield Hallam University, Sheffield, UK, Surface induced structural changes in confined liquid crystalline systems : a computer simulation study.

17 May 2002, 12:00 Dr. Gregor Skacej, Dept. of Physics, University of Ljubljana, Slovenia, Modeling of strongly confined liquid-crystalline systems. Selected topics in the field of strongly confined nematic liquid crystals will be addressed: molecular ordering and surface anchoring in a nematic slab, dynamical and external field effects in nematic droplets, and the orienting ability of regular or irregular polymer networks dispersed in liquid crystals. The modeling of these composite systems was based both on phenomenological (Landau-de Gennes) and microscopic simulation (lattice model Monte Carlo) approaches. A special attention was paid to establishing a relation between the simulation output and experimental observables, in particular DNMR line shapes, electric capacitance, and transmitted light intensity.
22 February 2002, 11:00 Biblioteca di Chimica Fisica, Prof. Philip L. Taylor, Department of Physics, Case Western Reserve University, USA, Simulation of glass transition and diffusion in polymers.

19 December 2001, 15.00 Dott. Matteo Pappalardo (Dip. Scienze Chimiche, Università di Catania), Modellazione e simulazione del frammento prionico 106-126.
7-14 May 2001. Dr. Sigismondo Boschi (CINECA), Five talks on High performance parallel computations.

Introduction to parallel computing and HPC. Communications, bandwidth and latency. One-sided and two-sided communications.
Platforms, libraries, languages. A comparison of platforms: Cray T3E, SGI Origin, IBM SP, PC cluster.
Libraries: MPI, OpenMP (obsolete ones: PVM, HPF). Other proprietary libraries: shmem, LAPI, ...MPI and message passing primitives. MPI_Send e Recv. Buffering.
MPI topologies. Usage of Fortran90 with MPI. MPI-2 extensions: parallel I/O and one-sided communications.
Application Libraries. LAPACK-ScaLAPACK. PETSc. Optimized libraries: ESSL, SCSL, ATLAS. Computational chemistry applications: NWchem, Gaussian, Gamess,...

15 March 2001: Biblioteca Chimica Fisica. ore 11. Dr. Kenji Kiyohara (Department of Optical Materials, Osaka National Research Institute): Third-order nonlinear optical response of molecular fluids
19 February 2001: Aula 8. 15.00 Prof. D. Dunmur (Department of Chemistry, University of Southampton): Dielectric studies of intermolecular and intramolecular correlation in nematics

26 October 2000: 11-12. Dr. Gregor Skacej (Physics Dept., University Ljubliana): Anchoring and subsurface deformations in nematic liquid crystals

Abstract: In the seminar, surface anchoring in nematic liquid crystals and its relation to possible localized subsurface deformations (i.e. variations of the nematic director) will be treated. Two types of approaches will be applied to analyze anchoring in a nematic slab:
(i) a simple hexagonal lattice model based on a pairwise intermolecular potential and

(ii) the phenomenological Landau-de Gennes theory.

The first approach shows the existence of a weak subsurface deformation, while the anchoring strength resulting from the model is rather large.
The second approach, on the other hand, shows that a localized subsurface variation of the scalar order parameter can also induce a subsurface deformation and can result in an additional intrinsic contribution to the effective anchoring.

16 October 2000: 15-16. Prof. Antonio Raudino (Dip. di Chimica, Univ. Catania) : Un modello teorico della cinetica di flocculazione di corpi deformabili e le implicazioni sul fenomeno della fusione tra vescicole lipidiche.
26 September 2000: 12-13. Dr. Corrado Bacchiocchi (Dip. di Chimica Fisica, Univ. Bologna): Motori molecolari e regolazione della contrazione della muscolatura
19 April 2000: 11-13. Dott. Luca Muccioli (Dip. di Chimica Fisica, Univ. Bologna)
- 1. Simulazioni molecular dynamics di modelli atomistici per cristalli liquidi. Introduzione
- 2. Simulazioni molecular dynamics di modelli atomistici per cristalli liquidi. Applicazioni
4 April 2000: 11-13. Dott. Michele Frascaroli (Dip. di Chimica Fisica, Univ. Bologna)

1. Determinazione di viscosità da simulazioni di liquidi isotropi
2.Determinazione di viscosità da simulazioni di cristalli liquidi

28 March 2000: 11-13 Prof. Jacek Fisz, (N. Copernicus University, Torun): Excited-state reactions and fluorescence depolarization in organized molecular media
24 March 2000: 15-16 Dr. Dirk Blunk (Department of Chemistry, TU Berlin), Helical-chiral triphenylene liquid crystals
17 February 2000: 15-17.30 Dr. Marco P. Brunelli (Dip. di Fisica, Univ. di Modena)
- 1. Teoria ed applicazioni del termostato di Nose'-Hoover alla simulazione nell' ensemble canonico.
- 2. Teoria ed applicazioni del termostato di Nose'-Hoover per il calcolo di energie libera di sistemi prossimi all'equilibrio.

25 February 2000: 15-16 Prof. Piero Procacci (Dip. di Chimica,Univ. di Firenze ): Polarizable models for molecular dynamics simulations: Electrical response in chemical potential equalization schemes.

Last updated November 2016 (CZ)

Claudio Zannoni web page