Computational Molecular Science 2012

Programme

Sunday 24th June
Registration 17:00
Dinner 19:00 – 20:00
Poster Session 20:00 – 22:00
 
Monday 25th June
Plenary 1 09:00 – 09:50 William Jorgensen
Drug Discovery Accelerated by Computational Methods
Lecture 1 09:50 – 10:20
Coffee 10:20 – 11:00
Lecture 2 11:00 – 11:30
Lecture 3 11:30 – 12:00
Lecture 4 12:00 – 12:30
Lunch 12:30 – 14:00
Plenary 2 14:00 – 14:50 Michael Cates
Hydrodynamic simulations of passive and active liquid crystals
Lecture 5 14:50 – 15:20
Tea 15:20 – 16:00
Lecture 6 16:00 – 16:30 Dario Alfe
Recent insights in the first principles simulation of water with Quantum Monte Carlo
Lecture 7 16:30 – 17:00
Lecture 8 17:00 – 17:30
Dinner 19:00 – 20:00
Posters 20:00 – 22:00
 
Tuesday 26th June
Plenary 3 09:00 – 09:50 Trygve Helgaker
Chemical bonding in strong magnetic fields
Lecture 9 09:50 – 10:20
Coffee 10:20 – 11:00
Lecture 10 11:00 – 11:30
Lecture 11 11:30 – 12:00
Lecture 12 12:00 – 12:30
Lunch 12:30 – 14:00
Plenary 4 14:00 – 14:50 Michael Payne
Predictive Quantum Mechanical Simulations in Biology
Lecture 13 14:50 – 15:20
Tea 15:20 – 16:00
Lecture 14 16:00 – 16:30
Lecture 15 16:30 – 17:00
Lecture 16 17:00 – 17:30
Conference Dinner 19:00
 
Wednesday 27th June
Plenary 5 09:00 – 09:50 David Wales
Exploring Energy Landscapes: From Molecules to Nanodevices
Lecture 17 09:50 – 10:20
Coffee 10:20 – 11:00
Lecture 18 11:00 – 11:30 Michele Vendruscolo
Characterization of free energy landscapes of proteins using NMR spectroscopy
Lecture 19 11:30 – 12:00
Lecture 20 12:00 – 12:30
Lunch 12:30
 
 
1st CCP-BioSim Conference: Frontiers of Biomolecular Simulation
This satellite session is organized by Professor Adrian Mulholland and CCP-BioSim, and the speakers will be Julien Michel, Luca Monticelli, Robert Best and Phil Biggin. Attendance is free for CMS delegates.
Scientific session 14:00 – 16:00
Tea and depatrure 16:00