51 / MATH/CHEM/COMP


The 26th International Course and Conference on the Interfaces Among Mathematics, Chemistry and Computer Science

13 – 18 June 2011   print this page

Course directors:

Damir Vukičević, University of Split, Croatia
Tomaž Pisanski, IMFM, University of Ljubljana, Slovenia
Edward C. Kirby, The Resource Use Institute, Pitlochry, Scotland, United Kingdom
Ante Graovac, Ruđer Bošković Institute Zagreb, Croatia
Roberto Todeschini, University of Milano-Bicocca, Italy
Dražen Vikić-Topić, Ruđer Bošković Institute Zagreb, Croatia
Dejan Plavšić, Ruđer Bošković Institute Zagreb, Croatia


Course description:

Basics and applications of mathematicals and computational methods to chemistry, biology and material sciences

The "Book of Abstracts" can be seen at http://mcc.irb.hr/


Course lecturers:

Damir Vukičević, University of Split, Croatia
Tomaž Pisanski, IMFM, University of Ljubljana, Slovenia
Branimir Bertoša, Ruđer Bošković Institute Zagreb, Croatia
Jerzy Cioslowski, University of Szczecin, Poland
Ivan Gutman, University of Kragujevac, Serbia
Haruo Hosoya, Ochanomizu University, Japan
Istvan Simon, Institute of Enzimology, Budapest, Hungary


Work Schedule:

THE MCC 2011 WORK PROGRAM

Sunday, June 12, 2011

20:00–22:00 REGISTRATION & WELCOME DRINK – reception desk, Hotel Lero,

Dubrovnik, I. Vojnovića 14

Monday, June 13, 2011

8:30–9:30 REGISTRATION – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

9:30–10:10 OPENING CEREMONY – ADDRESSES

Krunoslav PISK, Director of the Inter–University Centre, Dubrovnik

Mateo MILKOVIĆ, President of the University of Dubrovnik

Nada BRUER–LJUBIŠIĆ, Executive Secretary of the Inter–University Centre, Dubrovnik

Ante GRAOVAC, Director of the MCC 2011

LAUDATIO TO Sean P. McGLYNN

Chairman: Krunoslav PISK

10:10–10:30 Leo KLASINC

  • PROFESSOR SEAN P. McGLYNN: 25+ YEARS WITH HIM AT LSU
  • HONOUREE'S LECTURE

    Chairman: Leo KLASINC

    10:30–11:30 Sean P. McGLYNN

  • SEVENTY YEARS OF SCIENCE: A RETROSPECTIVE
  • 11:30–12:00 Coffee Break

    Chairman: Sean P. McGLYNN

    12:00–12:20 Krunoslav PISK

  • THE 300TH ANNIVERSARY OF THE BIRTH OF RUĐER JOSIP BOŠKOVIĆ A FAMOUS CROATIAN PHILOSOPHER AND SCIENTIST
  • 12:20–13:00 Jerzy CIOSLOWSKI

  • SHELL MODEL OF ASSEMBLIES OF EQUICHARGED PARTICLES SUBJECT TO RADIAL CONFINING POTENTIALS
  • Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    GRAPHS WITH APPLICATIONS

    Chairman: Jerzy CIOSLOWSKI

    15:00–15:40 Stu WHITTINGTON

  • COMBINATORIAL MODELS IN POLYMER PHYSICS
  • 15:40–16:20 Gilles CAPOROSSI

  • AutoGraphiX III: OVERVIEW OF THE NEW SYSTEM
  • 16:20–16:40 Break

    Chairman: Stu WHITTINGTON

    16:40–17:10 Yaser ALIZADEH, Ali IRANMANESH

  • AN ALGORITHM FOR COMPUTING SOME TOPOLOGICAL INDICES BASED ON DISTANCE
  • 17:10–17:40 Jelena SEDLAR, Damir VUKIČEVIĆ, Sarah Michele RAJTMAJER

  • ON ORDERING ALKANES BY MODIFIED ZAGREB INDICES
  • 17:40–18:10 Darko BUTINA

  • HISTORY OF 161 YEARS OF DAILY TEMPERATURE PATTERNS AT ARMAGH (UK) WEATHER STATION FROM THE THERMOMETER POINT OF VIEW
  • 18:30 GUIDED CITY TOUR

    meeting point: in front of the Western Gate of the Old Town (PILE GATE)

    Tuesday, June 14, 2011

    Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    GRAPHS WITH APPLICATIONS

    Chairman: Tomislav DOŠLIĆ

    9:30–10:10 Ali Reza ASHRAFI

  • DISTANCE-BASED TOPOLOGICAL INDICES OF FULLERENES
  • 10:10–10:30 Mahdieh AZARI, Ali IRANMANESH, Abolfazl TEHRANIAN

  • COMPUTATION OF TWO TOPOLOGICAL INDICES AND THEIR CORRESPONDING POLYNOMIALS FOR SOME GRAPH OPERATIONS
  • 10:30–10:50 Afshin BEHMARAM, Hassan YOUSEFI–AZARI, Ali Reza ASHRAFI

  • ON THE NUMBER OF SMALL PATHS, INDEPENDENT SETS AND MATCHINGS OF FULLERENES
  • 10:50–11:20 Coffee Break

    Chairman: Ali Reza ASHRAFI

    11:20–11:40 Sarah Michele RAJTMAJER, Damir VUKIČEVIĆ

  • A FAST APPROACH TO THE DETECTION OF ALL−PURPOSE HUBS AND COMMUNITIES IN COMPLEX NETWORKS
  • 11:40–12:00 Snježana MAJSTOROVIĆ, Antoaneta KLOBUČAR

  • k−DOMINATION ON HEXAGONAL CHAIN CACTI
  • Course – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    Chairman: Anthony J. GUTTMANN

    15:00–15:40 Stu WHITTINGTON

  • SELF−AVOIDING WALKS – Part I
  • 15:40–16:00 Break

    16:00–16:40 Stu WHITTINGTON

  • SELF−AVOIDING WALKS – Part II
  • 20:30 School of Arts Luka Sorkočević, Strossmayerova 3, Dubrovnik

    Sarah Michele Rajtmajer – Flute Concert

    Wednesday, June 15, 2011

    Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    MATHEMATICS WITH APPLICATIONS

    Chairman: Svjetlan FERETIĆ

    9:30–10:10 Dragutin SVRTAN

  • HYPERBOLIC ANALOG OF THE EASTWOOD−NORBURY FORMULA FOR ATIYAH DETERMINANT
  • 10:10–10:50 Anthony J. GUTTMANN

  • LATTICE GREEN FUNCTIONS AND SPANNING TREES
  • 10:50–11:20 Coffee Break

    Course – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    Chairman: Dragutin SVRTAN

    11:20–12:00 Anthony J. GUTTMANN

  • SOLVABLE SUBSETS OF SELF−AVOIDING WALKS AND POLYGONS – Part I
  • 12:00–12:20 Coffee Break

    12:20–13:00 Anthony J. GUTTMANN

  • SOLVABLE SUBSETS OF SELF−AVOIDING WALKS AND POLYGONS – Part II
  • Posters – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    Moderator: Damir VUKIČEVIĆ

    Posters given below are exhibited from 15:00, and are open for discussion till 17:00.

    Mehdi ALAEIYAN, Rasoul MOJARAD, Jafar ASADPOUR

  • A NEW METHOD FOR COMPUTING PI AND SZEGED INDICES OF EXTENDED BRIDGE GRAPH AND ITS APPLICATION IN NANOSTRUCTURES
  • Gholam Hossein FATH–TABAR

  • ON THE SYMMETRY OF (3,6)−FULLERENES
  • Petra GALER, Berta KOŠMRLJ, Boris ŠKET

  • PHOTOPHYSICAL AND PHOTOCHEMICAL PROPERTIES OF METHOXY CURCUMINOIDS AND THEIR BF2−DERIVATIVES
  • Leila JADIDOLSLAM, ALI IRANMANESH

  • THE HOSOYA POLYNOMIAL OF A TUC4C8(S) NANOTORUS
  • Abdelmalek KHORIEF NACEREDDINE, Abdelhafid DJEROUROU

  • A DFT STUDY OF THE SOLVENT EFFECTS ON THE MECHANISM, REGIO− AND STEREOSELECTIVITIES OF 1,3−DIPOLAR CYCLOADDITION OF C−DIETHOXYPHOSPHORYL−N−METHYLNITRONE WITH SUBSTITUTED ALKENES
  • Nataša KOVAČEVIĆ, Anton KOKALJ

  • DFT STUDY OF INTERACTION OF AZOLE CORROSION INHIBITORS WITH Cu(111) SURFACE
  • Majid MONEM ZADEH, Aghileh EBRAHIMI

  • BFFT APPROACH OF U(1) MASSIVE BOSON IN NON−COMMUTATIVE SPACE
  • Iulia PAUSESCU, Raluca POP, Adriana MARIESCU, Mihai MEDELEANU

  • ANTHOCYANINES ANTIOXIDANT ACTIVITY BY COMPUTATIONAL METHODS
  • Slavko RADENKOVIĆ, Patrick BULTINCK

  • RING CURRENTS IN POLYCYCLIC SODIUM CLUSTERS
  • Nenad RAOS, Ante MILIČEVIĆ

  • A MODEL TO ESTIMATE STABILITY CONSTANTS OF AMINO−ACID CHELATES WITH Cu(II) AT DIFFERENT IONIC STRENGTHS
  • Masoud SALAVATI−NIASARI

  • SYNTHESIS OF COBALT SULFIDE NANOPARTICLES BY SIMPLE HYDROTHERMAL METHOD
  • Milena SOŠIĆ

  • COMPUTING CONSTANTS IN SOME SUBSPACES OF FREE UNITAL ASSOCIATIVE COMPLEX ALGEBRA
  • Ivana ŠAGUD, Fabio FARAGUNA, Željko MARINIĆ, Marija ŠINDLER−KULYK

  • PHOTOCHEMICAL APPROACH TO NAPHTHOXAZOLES AND FUSED HETEROBENZOXAZOLES FROM 5−(PHENYL/HETEROARYLETHENYL)OXAZOLES
  • Mehdi TAHERI,Gholam Hossein FATH–TABAR

  • COMPUTING THE ENERGY OF TWO TYPES OF DENDRIMERS
  • Thursday, June 16, 2011

    Course – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    Chairman: Veljko ZLATIĆ

    9:30–10:10 Robert GLASER, Avital STEINBERG

  • IDENTICAL, SIMILAR, OR DIFFERENT: QUANTIFICATION OF PSEUDOSYMMETRY RELATIONSHIPS IN MOLECULAR CRYSTALS – Part I
  • 10:10–10:20 Break

    10:20–11:00 Robert GLASER, Avital STEINBERG

  • IDENTICAL, SIMILAR, OR DIFFERENT: QUANTIFICATION OF PSEUDOSYMMETRY RELATIONSHIPS IN MOLECULAR CRYSTALS – Part II
  • 12:30 EXCURSION – details will be given on the spot

    do not forget your tickets

    Conference Dinner – info on place and time will be given on the spot

    Friday, June 17, 2011

    Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    GRAPHS WITH APPLICATIONS

    Chairman: Mihai V. PUTZ

    9:30–10:00 Modjtaba GHORBANI

  • A NOTE ON VERTEX TRANSITIVE GRAPHS
  • 10:00–10:40 Svjetlan FERETIĆ

  • GENERATING FUNCTIONS FOR TRI−WALL POLYGONS
  • 10:40–11:00 Coffee Break

    Chairman: Dražen VIKIĆ−TOPIĆ

    11:00–11:40 István LÁSZLÓ, Miklós KERTÉSZ, Brad SLEPETZ

  • SIMULATION OF LARGE MULTI−ATOM VACANCIES IN DIAMOND
  • 11:40–12:20 Mihai V. PUTZ

  • ELECTRONEGATIVITY AND CHEMICAL HARDNESS: RELIABLE QUANTUM TOOLS FOR CHEMICAL STRUCTURE AND REACTIVITY
  • 12:20–13:00 Veljko ZLATIĆ

  • ENHANCEMENT OF THERMAL TRANSPORT IN CORRELATED MULTILAYERS
  • 13:00 IUC – RECEPTION

    IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    GRAPHS WITH APPLICATIONS

    Chairman: István LÁSZLÓ

    15:00–15:30 Mohammad A. IRANMANESH, Lida ZABOLIZADEH

  • ON SOME TOPOLOGICAL INDICES AND RELATED POLYNOMIALS FOR A FAMILY OF DENDRIMERS
  • 15:30–16:00 Ali MADANSHEKAF

  • ATOM−BOND CONNECTIVITY INDEX OF SOME NANOSTARS
  • Saturday, June 18, 2011

    Lectures – IUC Inter−University Centre, Dubrovnik, don F. Bulića 4

    THEORY & APPLICATIONS

    Chairman: Ali IRANMANESH

    9:00–9:30 Anita ŠIMIĆ, Fred BARET, Jean−F. HANOCQ, Remi LECERF, Fernando de la CRUZ TERCERO, Aleixandre VERGER

  • APPROACH FOR VALIDATION OF GEOLAND2 PRODUCTS USING PASTiS 57 (AUTONOMOUS LIGHT SENSORS FOR PAI CONTINUOUS MONITORING): BIOPHYSICAL PRODUCTS TRENDS OVER EUROPE
  • 9:30–9:50 Tomislav CVITAŠ, Leo KLASINC, Brunislav MATASOVIĆ

  • PHOTOCHEMICAL POLLUTION LEVEL ASSESSMENT OVER THE UK BASED ON OZONE DATA 1990−2006
  • 9:50–10:20 Urban BREN, Matej PRAPROTNIK, Matevž BREN, Dušanka JANEŽIČ

  • ROTATIONAL MOTION AND THE SOLVATION PROPERTIES OF WATER – IMPLICATIONS FOR THE USE OF MICROWAVE IRRADIATION
  • 10:20–10:50 Jane BOGDANOV, Bogdan BOGDANOV

  • MOMENT OF INERTIA OF CHIRAL MOLECULES AS A PARAMETER FOR CALCULATING OPTICAL ROTATION: CONFORMATIONAL EFFECTS IN 2−SUBSTITUTED BUTANES
  • 10:50–11:10 Coffee Break

    GRAPHS WITH APPLICATIONS

    Chairman: Urban BREN

    11:10–11:40 Tomislav DOŠLIĆ

  • COUNTING CONJUGATED CIRCUITS IN BENZENOID CHAINS
  • 11:40–12:10 Primož LUKŠIČ

  • FAMILIES OF DISTANCE−BALANCED GRAPHS
  • 12:10–12:20 CLOSING OF THE MEETING

    12:20 FAREWELL DRINK

    IUC Inter−University Centre, Dubrovnik, don F. Bulića 4