New Frontiers in the Characterization of Molecular Systems

GB
Higgs Centre

Higgs Centre

Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
Gianpaolo Gobbo (The University of Edinburgh)
  • Thursday, 9 April
    • 09:30 10:30
      Property-guided energy landscape sampling for molecular design (Julien Michel, Edinburgh) 1h India Street

      India Street

      Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
    • 10:30 10:50
      Coffee Break 20m India Street

      India Street

    • 10:50 11:50
      HTMD: A complete software environment for high-throughput molecular dynamics (Gianni De Fabritiis, Barcelona) 1h
    • 11:50 13:30
      Lunch Break 1h 40m India Street

      India Street

    • 13:30 14:00
      Calculating Probability Densities to Predict Entropy Changes in Molecular Systems (David Huggins, Cambridge) 30m India Street

      India Street

      Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
    • 14:00 14:30
      Determining Macromolecular Entropy from Force (Richard Henchman, Manchester) 30m India Street

      India Street

      Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
    • 14:30 14:50
      Coffee Break 20m India Street

      India Street

    • 14:50 15:50
      Enhancing the force-field and the sampling in MD (Carlo Camilloni, Cambridge) 1h India Street

      India Street

      Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
    • 15:50 16:30
      An extended Hamiltonian approach to continuous tempering (Gianpaolo Gobbo) 40m India Street

      India Street

      Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
    • 09:30 10:30
      The transition-based reweighting analysis method (Frank Noe, Berlin) 1h
    • 10:30 10:50
      Coffe Break 20m
    • 10:50 11:50
      Advanced sampling with Diffusion Coordinates (Cecilia Clementi, Houston) 1h
    • 11:50 13:30
      Lunch Break 1h 40m
    • 13:30 14:30
      Clustering by fast search-and-find of density peaks (Alessandro Laio, Triest) 1h
    • 14:30 14:50
      Coffe Break 20m
    • 14:50 15:50
      Efficient sampling of dynamical pathways in equilibrium kinetic networks (Peter Bolhuis, Amsterdam) 1h
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