MACUMB 2017 Madrid


  • Booklet with practical information and full program

    Scientific Programme



    Talks and Hands-on Sessions:

    • Dr. Alberto Luna, Universidad Autónoma de Madrid (Spain)

      Director of Madrid Node of Spanish Supercomputing Center. Opening

    • Fernando Martín, Universidad Autónoma de Madrid (Spain)

      A hybrid-basis close-coupling interface to quantum chemistry packages for ionization

      problems: the XCHEM code

    • José Román, Universitat Polièctnica de València (Spain)

      An overview of SLEPc with focus on computational chemistry applications

    • Basile Curchod, University of Bristol (UK)

      Towards in Silico Photochemical Experiments using Ab Initio Nonadiabatic Molecular


    • Mario Barbatti, Aix Marseille University, Marseille (France)

      Dynamics or Reaction Paths: Which Is the Best Quantum Chemistry We can Do?

    • Rachel Crespo-Otero, Queen Mary University of London (UK)


    • Mathias Rapacioli, IRSAMC, CNRS & Université de Toulouse (France)

      HANDS-ON. Exploring DFTB Potential energy surface Hands-on: deMonNano Code

    • Marta Renato, Spanish Supercomputing Network (RES, Spain)

      Spanish Supercomputing Network presentation

    • Ivano Tavernelli, Zurich Research Laboratory, IBM (Switzerland)

      New strategies for non-adiabatic dynamics with trajectories

    • Alexander Kuleff, Universität Heidelberg (Germany)

      Multielectron wave-packet propagation for studying ultrafast

      electron dynamics: Behind the scenes

    • Jimena Gorfinkiel, The Open University (UK)

      Towards an R-matrix suite for attosecond multielectron dynamics in molecules

    • Daniel Keefer, Ludwig-Maximilians-Universität München (Germany)

      Photochemistry in Solution: Quantum Dynamics and Control

    • David Glowacki, University of Bristol (UK)

      A parallel multi-state EVB framework for investigating non-equilibrium reaction dynamics

    • Aude Simon, IRSAMC, CNRS & Université de Toulouse (France)

      Polycyclic aromatic hydrocarbon isomerisation and dissociation : investigations with

      molecular dynamics/DFTB simulations

    • For the hands-on sessions, there will be two different groups. The computer room where each participant should attend will be indicated in the printed booklet that will be provided in the registration desk.

    Social Programme

    On Thursday evening, we plan to enjoy a "get-together party" on Campus. The price will be 25 euros per person. We kindly ask you to proceed with the payment through bank transfer before May 19th. Instructions for the payment have been sent by e-mail to all participants.