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
1
Property-guided energy landscape sampling for molecular design (Julien Michel, Edinburgh)
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
Coffee Break
India Street
India Street
2
HTMD: A complete software environment for high-throughput molecular dynamics (Gianni De Fabritiis, Barcelona)
11:50
Lunch Break
India Street
India Street
3
Calculating Probability Densities to Predict Entropy Changes in Molecular Systems (David Huggins, Cambridge)
India Street
India Street
Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
4
Determining Macromolecular Entropy from Force (Richard Henchman, Manchester)
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
Coffee Break
India Street
India Street
5
Enhancing the force-field and the sampling in MD (Carlo Camilloni, Cambridge)
India Street
India Street
Two venues: Maxwell Foundation, India Street (April 9th); Higgs Centre for Theoretical Physics, James Clerk Maxwell Building (April 10th)
6
An extended Hamiltonian approach to continuous tempering (Gianpaolo Gobbo)
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
7
The transition-based reweighting analysis method (Frank Noe, Berlin)
10:30
Coffe Break
8
Advanced sampling with Diffusion Coordinates (Cecilia Clementi, Houston)
11:50
Lunch Break
9
Clustering by fast search-and-find of density peaks (Alessandro Laio, Triest)
14:30
Coffe Break
10
Efficient sampling of dynamical pathways in equilibrium kinetic networks (Peter Bolhuis, Amsterdam)