New Frontiers in the Characterization of Molecular Systems
9 Apr 2015, 09:30
→
10 Apr 2015, 15:50
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
Thu, 9 Apr
Fri, 10 Apr
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)
Friday, 10 April
Thu, 9 Apr
Fri, 10 Apr
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