CCP5 Summer School 2014, Methods in Molecular Simulation
Manchester University, UK
The CCP5 Summer School is one of the foremost training events for new researchers in the field of molecular simulation. The School aims to connect the concepts of statistical mechanics with modern computing approaches and applications. The material is delivered through a combination of background lectures (usually mornings), hands-on workshops (afternoons) and research seminars (early evenings) from invited experts in the field.
The School also gives students the chance to present their own work through seminars and a poster session.
PLEASE REGISTER VIA CCP5's WEBSITE: www.ccp5.ac.uk
This is a Summer School aimed at training of first year PhD students to provide them with the background knowledge and practicle skills to persue research in the area of computer simulation at the electrionic structure, atomistic and mesoscales. The School content is under continual revision and draws on examples from the recent literature to emphasise key points. The full programme and further details on the content are given in the appended document. References used as a basis of lecture material include text books, for example:
“Statistical Physics”, L.D. Landau and E.M. Lifshitz, Pergamon Press, Oxford.
“Introduction to Modern Statistical Mechanics”, David Chandler.
“Statistical Mechanics: Theory and Molecular Simulation”, Mark Tuckerman, Oxford Graduate Texts.
“Computer Simulation of Liquids”, M.P.Allen and D.J.Tildesley, Oxford Science Pubs.,
“Understanding Molecular Simulation”, Daan Frenkel and Berend Smit, Academic Press, (1996), ISBN 0-12-267370-0
“Theory of Simple Liquids”, J.-P. Hansen and I.R. McDonald, Academic Press (1986).
“The Art of Molecular Dynamics Simulation”, D.C. Rapaport, Camb. Univ. Press (2004)
“Classical Mechanics”, H. Goldstein, Addison-Wesley.
Along side primary literature such as:
R. Rozas & T. Kraska, J. Phys. Chem. C, 111, 15784, (2007).
E. Cauët et al., J. Chem. Phys. 132, 194502, (2010)
H.C. Andersen, J. Comp. Chem. 52, 24 (1983).
S. Nosé, J. Chem. Phys., 81, 511, (1984).
M. Parrinello & co-workers, J. Chem.Phys., 130, 074101, (2009).
The School delivers training to around 70 students each year mostly from EU member countries. The lectures detailed in the appended documents cover
There are also many opportunities for students to network with each other and lecturing staff. This includes a poster session at which most of the students present and some students are selected to give 20 minute talks. These interactions often lead to further interactions after the school including nurturing research collaborations into the future. We
view this as an important goal of the Summer School as it builds collaboration and contacts for researchers at the very start of their careers.
Paola Carbone (The University of Manchester) - Organiser
John Purton (Daresbury Laboratory) - Organiser
David Willock (University of Cardiff) - Organiser