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    Mathematics Institute

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    • Workshop 24-28 Aug »
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    University of Warwick

    EPSRC Symposium Workshop on Quantum Simulations

    Monday 24th – Friday 28th August 2009

    Centre for Scientific Computing and Department of Mathematics, University of Warwick

    Organiser: R.A. Römer (Physics), A. Troisi (Chemistry)

    Report of the Conference

    Conference email: quantsim09@forums.warwick.ac.uk

    [Sponsored by funds from the EPSRC]

    • Background
    • Programme
    • Participants
    • Registration
    • Venue
    • Contact
    • Photos

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    Background and Purpose

    The aim of this workshop is to identify computational challenges in the investigation of both large and small quantum mechanical systems. Ultimately, quantum mechanics governs how the world around us evolves. Thus it is of tremendous importance to study how quantum effects at the microscopic level manifest themselves in macroscopic behavior. In the pursuit of this goal, two major research strands can be identified: (i) physicists and mathematicians typically study universal characteristics of suitably identified paradigmatic models, whereas (ii) chemists and material scientists concern themselves with the intricate nature of very specific molecular arrangements and molecules.

    A related dichotomy is that between (a) small model systems and (b) the quantum statistical mechanics of large systems. The recent drive into nano-science has led to a situation in which the research strands (i) and (ii), and (a) and (b) are becoming increasingly coupled to produce a lively field of research, active on a broad range of interconnecting fronts. In addition, and as a partial consequence of the aforementioned drivers, computational methods are now very heavily used on length and time scales much beyond the originally envisaged scales. Consequently, the mathematical underpinning of these approaches and algorithms needs to be reconsidered and there is need for a cross-disciplinary effort to do so. To address these problems is the aim of our proposed workshop, which will be structured into 5 themes:

    1. Quantum Dynamics;
    2. Small Systems;
    3. Large Systems and Quantum Statistical Mechanics;
    4. Applications, including Quantum Chemistry and Materials;
    5. Underpinning Numerical Methods.

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    Programme

    This is the final programme (240809).

    PDF of Programme

    Time Title Speaker
    Monday, August 24th, 2009
    09:30-10:30 Registration  
    10:30-11:00 Coffee Break  
    11:00-11:15 Welcome  
    Morning Chair: Alessandro Troisi
    11:15-11:45 Electron transport in multilevel quantum dots David Logan
    11:50-12:25 A numerical study of mobility in thin films of fullerene derivatives Roderick MacKenzie
    12:25-14:30 Lunch Break  
    Afternoon Chair: Colin Lambert
    14:30-15:00 Biological and Small Molelcule Electron Transfer Processes: Some Interesing Connections Spiros Skourtis
    15:05-15:35 Conductivity in Random Resistor Networks Pablo Serna
    15:40-16:15 Tea Break  
    16:15-16:45 The role of interstitial Ti atoms and O vacancy sites in the Ti(3d) defect states in the band gap of Titania Gilberto Teobaldi
    16:50-17:20 Polarons in DNA at finite temperature Francisco Dominguez-Adame
    17:25-18:00 wine and nibbles  
    Tuesday, August 25th, 2009
    Morning Chair: Francisco Dominguez-Adame
    09:00-09:30 Dynamics and Statistics of Electron Transport in Single Molecules Yi Luo
    09:35-10:05 Controlled Electron Transport Through Single Molecules Colin Lambert
    10:10-10:40 Infinite Randomness Fixed Point of the disordered Mott transition? Vladimir Dobrosavljevic
    10:45-11:15 Coffee Break  
    11:15-11:45 Doped asymmetric two-band Hubbard models Peter van Dongen
    11:50-12:20 Multifractal analysis with the probability density function at the three-dimensional Anderson transition Alberto Rodriguez-Gonzalez
    12:25-14:30 Lunch Break  
    Afternoon Chair: Keith Slevin
    14:30-15:00 Modelling protein-surface interactions: a challenge for computations Stefano Corni
    15:05-15:35 The disordered Mott metal-insulator transition Eduardo Miranda
    15:40-16:15 Tea Break  
    16:15-16:45 Exciton migration in conjugated polymers: the influence of positional and energetic disorder Theodoros Papadopoulos
    16:50-17:25 The modified sharpened index hms and other variants in the Hirsch index zoo Michael Schreiber
    17:25-18:00 wine and nibbles  
    Wednesday, August 26th, 2009
    Morning Chair: Tapash Chakraborty
    09:00-09:30 Introduction to Nonextensive Statistical Mechanics [PPTX] Antonio Rodriguez
    09:35-10:05 Applications of Nonextensive Statistical Mechanics to a new universality class of unimodal dissipative maps Guiomar Ruiz-Lopez
    10:10-10:40 Optical control of transport through molecular junctions Ulrich Kleinekathöfer
    10:45-11:15 Cofee Break  
    11:15-11:45 Mixed Quantum-Classical Description of Electronic Excitation Energy Transfer in Supramolecular Complexes Volkhard May
    11:50-12:20 Ab initio atomistic thermodynamics of oxygen adsorption in graphene vacancies Felix Hanke
    12:25-14:00 Lunch Break  
    14:00-21:00 Conference Excursion and River Cruise+Dinner  
    Thursday, August 27th, 2009
    Morning Chair: Ulrich Kleinekathöfer
    09:00-09:30 Critical exponent for the quantum Hall transition Keith Slevin
    09:35-10:05 Dynamics on the nanoscale: Time-domain ab initio studies of quantum dots and carbon nanotubes Oleg Prezhdo
    10:10-10:40 Quasicrystals - disordered insulating metals with five-fold symmetry Michael Schreiber
    10:45-11:15 Coffee Break  
    11:15-11:45 Band-like motion and incoherent diffusion in organic molecular semiconductors: two sides of the same coin Simone Fratini
    11:50-12:20 Polaron Transport in Organic Semiconductors: Theory and Modelling Karsten Hannewald
    12:25-14:40 Lunch Break  
    Afternoon Chair: Peter van Dongen
    14:30-15:00 A non-equilibrium network model for magneto transport in the quantum Hall effect regime Josef Oswald
    15:05-15:35 DNA magnetism: A New Paradigm in Nano-bio-electronics Tapash Chakraborty
    15:40-16:15 Tea Break  
    16:15-16:45

    Bottom-up modelling of charge transport in soft materials

    David Cheung
    16:50-17:20 Electron-vibration scattering in molecular transport Alessandro Pecchia
    17:25-18:00 wine and nibbles  
    Friday, August 28th, 2009
    Morning Chair 1: Simone Fratini
    09:00-09:30 Non-equilibrium Electron Transport in Dry DNA Sri Chaitanya Das Pemmaraju
    09:35-10:05 Introduction to Matrix Product States Manuel Pino-Garcia
    10:10-10:40 Beyond Förster resonance energy transfer in biological and nanoscale systems David Beljonne
    10:45-11:15 Coffee Break  
    Morning Chair 2: David Cheung
    11:15-11:45 Rigid proteins and conducting DNA Stephen A. Wells
    11:50-12:20 Edge States of Quantum Antiferromagnets Jose A. Hoyos
    12:25-14:30 Lunch Break  

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    Participants

    Participation is by invitation only. Please contact csc-conferences-quantsim09@forums.warwick.ac.uk if you think this workshop is interesting. Normally, we would be happy to accept self-invitations, but will not be able to pay for any travel expenses in this case.

    The symposium will start August 24th, 2009, at 09:30am at the University of Warwick. Note that the university is located at the outskirts of Coventry and not in Warwick. See http://www2.warwick.ac.uk/about/visiting/ for travel details and http://www2.warwick.ac.uk/about/visiting/maps/ for maps of the central campus. In case you come by car, parking is available for delegates at car park 15.


    Name Affiliation Status
    1
    David Beljonne Mons 26-28 Aug
    2 Tapash Chakraborty Winnipeg 23-28am Aug
    3 David Cheung Warwick 24-28 Aug
    4
    Stefano Corni Modena 23-26 Aug
    5
    Vladimir Dobrosavljevic NHMFL Florida 23-29 Aug
    6 Francisco Dominguez-Adame Madrid 23-28am Aug
    7 Andrea Fischer Warwick 24-28 Aug
    8
    Simone Fratini Grenoble 23-28 Aug
    9 Jarvis Frost London 25-28 Aug
    10 Felix Hanke Liverpool 24-28 Aug
    11
    Karsten Hannewald Jena 23-28 Aug
    12
    Ulrich Kleinekathoefer Bremen 24-28 Aug
    13
    Colin Lambert Lancaster 24-27 Aug
    14
    David Logan Oxford 23-26 Aug
    15
    Yi Luo Stockholm 23-26 Aug
    16 Roderick McKenzie London 24-28 Aug
    17 Natalia Martsinovich Warwick 24-28 Aug
    18
    Volker May Berlin 23-29 Aug
    19 Eduardo Miranda Campinas 23-28 Aug
    20 Peter O'Connor Warwick 24-28 Aug
    21
    Josef Oswald Leoben 23pm-28am Aug
    22 Theodoros Papadopoulos Bath 23-28 Aug
    23
    Alessandro Pecchia Rome 24-28 Aug
    24
    Sri Chaitanya Das Pemmaraju Dublin 23-28 Aug
    25
    Manuel Pino-Garcia Madrid 23-29 Aug
    26
    Oleg Prezhdo Seattle 26-29 Aug
    27 Mark P Rodger Warwick 24-28 Aug
    28
    Antonio Rodriguez Madrid 23-28 Aug
    29
    Alberto Rodriguez-Gonzales Warwick 23-28 Aug
    30
    Rudolf A Römer Warwick 23-28 Aug
    31
    Guiomar Ruiz-Lopez Madrid 23-28 Aug
    32
    Michael Schreiber Chemnitz 23-27 Aug
    33
    Pablo Serna Murcia 23-29 Aug
    34
    Spiros Skourtis Cyprus 23-28 Aug
    35
    Jack Sleigh Warwick 24-28 Aug
    36
    Keith Slevin Osaka 23 Aug - 5 Sep
    37
    William Joseph Spring Hertford 23-28 Aug
    38
    Gilberto Teobaldi London 24-28 Aug
    39
    Alessandro Troisi   Warwick 23-28 Aug
    40
    Peter van Dongen Mainz 23-28 Aug
    41 Stephen Wells Warwick 24-28 Aug
    42
    David Wild Warwick 24-28 Aug
    *This table holds information up to 18 Aug 09.

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    Venue

    Registration will be held in the Common Room of the Mathematics Institute and all talks will be held in Lecture Room B3.02 of the Mathematics Institute. This is building 35 of the Warwick central campus.

    The workshop will start with the registration at the University of Warwick. Note that the university is located at the outskirts of Coventry and not in Warwick. See http://www2.warwick.ac.uk/about/visiting/ for travel details and http://www2.warwick.ac.uk/about/visiting/maps/ for maps of the central campus. In case you come by car, parking is available for delegates at car park 15.


    Top

    Registration

    You can register for any of the workshops online. To see which workshops are currently open for registration and to submit a registration, please click here.


    Top

    Contact

    Mathematics Research Centre
    Zeeman Building
    University of Warwick
    Coventry CV4 7AL
    United Kingdom

    e-mail: mrc@maths.warwick.ac.uk
    Phone: +44 (0)24 7652 8317
    Fax: +44 (0)24 7652 3548

    Aerial photograph of Maths Houses

    • How to get here

    See also:

    Mathematics Research Centre

    Mathematical Interdisciplinary Research at Warwick (MIR@W)

    Past Events 

    Past Symposia 

    Registration:
    You can register for any of the symposia or workshops online. To see which registrations are currently open and to submit a registration, please click here.
    Contact:
    Mathematics Research Centre
    Zeeman Building
    University of Warwick
    Coventry CV4 7AL - UK
    E-mail:
    mrc@maths.warwick.ac.uk

    Mathematics Institute
    Zeeman Building
    University of Warwick
    Coventry CV4 7AL

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    Page contact: Rudolf Roemer Last revised: Tue 29 Sep 2009
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