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MolSim 2017

This workshop is aimed at those new to molecular modelling – from either a biological or materials background – but may well be of interest to those with more experience too. The level and content of the lectures and workshops will be designed to fit the participants. Lectures will be the same for all participants, but workshops will be split between materials and biomolecular systems.

Computers will be available with all necessary programs installed. If participants wish to use their own laptops, they are entirely responsible for ensuring that the relevant programs are installed and that they know how to use them.

Participants need to register for MolSim as places are limited. Registration is free by clicking on this linkRegistrations close 17th September.

The program for the school is as follows:

Monday 25th September

Day One 
9.00-10.00Lecture 1 - Introduction to molecular dynamics:
Prof. Mark Tuckermann (NYU)
10.15 - 11.15Lecture 2 - Ensembles:
A/Prof. Paolo Raiteri (Curtin)
11.30 - 12.30Lecture 3 - Force fields:
Dr Tom Collier (Massey)
12.30 - 13.30Lunch
13.30 - 17.00Workshop 1 - Molecular dynamics basics:
Dr Jane Allison, Dr Tom Collier (Massey)

Tuesday 26th September
Day Two 
9.00 - 10.00Lecture 4 - Parameterisation and methodology:
Prof. Alan Mark (UQ)
10.15 - 11.15Lecture 5 - Calculation of properties:
Prof. Mark Tuckermann (NYU)
11.30 - 12.30Lecture 6 - Free energy methods:
Dr Bernhard Reischl (Curtin University)
12.30 - 13.30Lunch
13.30 - 16.00Workshop 2 - Simulation setup and analysis:
Dr Jane Allison, Dr Tom Collier (Massey)
Dr Evelyne Deplazes (Curtin)

The meeting will finish in time for participants to catch the bus to Margaret River.