Long talk: 40′, including questions/discussion
Short talk: 25′, including questions/discussion

NB: the speaker can decide to balance his/her time between the presentation and the questions/discussion

Download abstracts here

Monday June, 27 17:00 Departure of the boat shuttle from la Tour Fondue to Porquerolles Island (meeting point 16:45)
17:45 Check-in reception desk IGESA and registration
19:00 – 20:15 Welcome cocktail and dinner
Tuesday June, 28

Session 1

8:30 – 10:15 Long B. Andresen Maxwellian velocity distributions in slow time
Short R.G. Mantell, D.J. Wales GPU-Accelerated Exploration of Biomolecular Energy Landscapes
Long T. Komatsuzaki A kinetic disconnectivity graph to decode timescale hierarchy buried in reaction networks
10:15 – 10:45 Coffee Break
10:45 – 12:15 Short T. Cragnolini, S. Doutreligne, M. Baaden, P. Derreumaux, L. Mazzanti, S. Pasquali Predicting and exploring complex nucleic acids architectures through a coarse-grained model
Long J.B. Rommel Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu110
Short A. Posada-Amarillas Empirical Potential Ternary Cluster Structure Prediction
12:15 – 13:15 Lunch
13:15 – 19:15 Free time
19:15 – 20:15 Dinner
20:30 – 22:30 Poster session
Wednesday June, 29

Session 2

8:30 – 10:15 Long F. Cazals Energy landscapes: sampling, analysis, and comparison
Short H-P. Cheng, J. Trinastic Molecular dynamics modeling of mechanical loss in amorphous tantala and titania-doped tantala
Long A. Heuer, C.F. Schroer, M. Blank-Burian The potential energy landscape of glass-forming systems: impact of strong external perturbations
10:15 – 10:45 Coffee Break
10:45 – 12:15 Short S. Neelamraju Crystal Structure Prediction and structure solution of two novel polymorphs of Griseofulvin
Long C. Schoen Energy landscape explorations in two-dimensional chemical systems
Short C.H. Robert Heme incorporation into artificial four-helix bundles
12:15 – 13:15 Lunch
Session 3 14:00 – 15:20 Long E. Rosta Asymmetric activation of RAF Kinase Dimers
Long Y. Okamoto Energy Landscape Explored by Generalized-Ensemble Algorithms
15:20 – 15:50 Coffee Break
15:50 – 16:45 Short M. Wahiduzzaman, B. Sikora, S. Wang, C. Serre, G. Maurin A computational toolbox for the structure determination of porous hybrid solids
Long P. Salamon The landscape of a quantum optimal control problem
 19:15 – 20:15 Dinner
Thursday June, 30

Session 4

8:30 – 10:15 Long S. Fejer, D. Chakrabarti, D.J. Wales Cooperativity in clusters of anisotropic particles
Short T. Roach Evolution: a non-equilibrium thermodynamic perspective
Long B. Strodel Thermodynamics and kinetics of protein aggregation from atomistic simulations
10:15-10:45 Coffee Break
10:45 – 12:15 Short D. Zagorac Energy landscape investigation of ZnO using the threshold algorithm method
Long  Arnulf Moebius Optimizing interval width reduction instead of huntig for the best function value: alternative approaches to root finding and 1D minimization
12:15 – 13:15 Lunch
17:00-18:30 Wine tasting (optional program)
19:15 – 21:15 Dinner at l’Alycastre
Friday July 1

Session 5

8:30 – 10:15 Long D. Chakraborty, K. Sen, D.J. Wales Single base flipping mechanisms and kinetics in a DNA duplex: an energy landscape perspective
Short S.T. Bromley, Andi Cuko How Does Coordination Affect the Low Lying Minina in Inorganic Clusters
Long M. Toda Time series analysis using wavelet for molecular dynamics simulation of proteins
10:15 – 10:45 Coffee Break
10:45 – 11:25 Long A. Esta,  K. Molloy, M. Vaisset, T. Simeon, P. Bernado, J. Cortes Exploring the energy landscape of highly-flexible biomolecules with a forest of random trees
12:15 – 13:15 Lunch
14:30 – 16:30 Boat tour (optional program)
17:15 – 19:15 Software demos
19:15 – 20:15 Dinner
Saturday July 2

Session 6

8:30 – 10:15 Long R.L. Johnston, J.C. Hey, L.C. Smeeton, E. Doyle, M.T. Oakley, D. Sharma Energy Landscapes of Nano-hydrated Ions and their Relevance to the Hofmeister Series
Short L. Mazzanti Integrative coarse-grained RNA modeling for small–angle X–ray scattering
Long Martin Uhrin, Nicola Marzari, and Chris J. Pickard Materials Beyond the Periodic Table: A High-Throughput Structure Prediction Study
10:15 – 10:45 Break
10:45 – 12:15 Short J.W.R. Morgan,  D. Mehta, D.J. Wales Network Properties of Atomic Clusters
Long N-V. Buchete Mapping the kinetic folding network of helical and amyloid-forming peptides
12:15 – 13:15 Lunch
13:15 – 19:15 Free time
19:15 – 20:15 Dinner
Sunday July 3 9:00 – 10:00 Check-out
10:00 Baggage handling at the Igesa reception
10:30 Departure of the boat shuttle from Porquerolles Island to la Tour Fondue