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CCP5 Summer School 2015
Methods in Molecular Simulations

Summer School Speakers Application Preparation


The Summer School 2015 will take place at Manchester University, July 12 - July 21 2015. Organised by CCP5 and sponsored by the CECAM organisation, this School is intended for newcomers to the science of molecular simulation and will provide a comprehensive introduction to the methodology, practical sessions on computational methods and examples of the power and versatility of simulation methods.


Arrival Information   Campus Map


Course Summary

As in previous Summer Schools, the first five days of the course will cover the basics of molecular simulation and the remaining four days will be devoted to more advanced courses. Course notes will be provided. In addition to the course lectures, practical sessions will take place in which students will undertake relevant computational exercises.

Basic Courses

  • An Overview of Molecular Simulation (1 lecture, CCP5 Chair - N. Allan)
  • Introduction to Practical Session (1 lecture, D. Willick, L. Lue and J. Purton)
  • Statistical Mechanics (2 lectures, D. Willock and L. Lue)
  • Molecular Dynamics (3 lectures, D. Willock)
  • Monte Carlo Methods (3 lectures, L. Lue)
  • Free Energy Methods (2 lectures, J. Anwar)
  • Optimisation Methods (1 lecture, J. Harding)
  • Introduction to Force Fields (1 lecture, J. Harding)
  • Hyperdynamics (1 lecture, J Harding)

Advanced Courses

  • First principles simulation (5 lectures, K. Refson (Royal Holloway, London) and L. Bernasconi (RAL))
  • Mesoscale Methods (5 lectures, I. Halliday (Sheffield Hallam University) and M. Seaton (Daresbury Laboratory))
  • Simulation of Organic and Bio Molecules (5 lectures, R. Henchman (University of Manchester), S. Khalid (University of Southampton)

Timetable

  12 July 13 July 14 July 15 July 16 July 17 July 18 July 19 July 20 July 21 July
09.00   Overview of
Molecular
Simulation
Introduction
to
Force Fields
Monte
Carlo
2
Monte
Carlo
3
Free Energy
Methods
1
Advanced
Seminar 1
FPS
BIO
MESO
Free
Time
Advanced
Seminar 4
FPS
BIO
MESO
Advanced
Seminar 7
FPS
BIO
MESO
10.00 Statistical
Mechanics
1
Statistical
Mechanics
2
Molecular
Dynamics
1
Molecular
Dynamics
2
Free Energy
Methods
2
Advanced
Seminar 2
FPS
BIO
MESO
Advanced
Seminar 5
FPS
BIO
MESO
Practical
Session
FPS
BIO
MESO
11.00 Refreshments Refreshments
11.30 Intro to
Practical
Session
Monte
Carlo
1
Optim -
-ization
Methods
Long
Timescale
Methods
Molecular
Dynamics
3
Advanced
Seminar 3
FPS
BIO
MESO
Advanced
Seminar 6
FPS
BIO
MESO
Practical
Session
FPS
BIO
MESO
12.30 Lunch Lunch
14.00 Arrival Practical
Workshop
1
Practical
Workshop
3
Practical
Workshop
5
Practical
Workshop
7
Practical
Workshop
9
Practical
Session
FPS
BIO
MESO
Free
Time
Practical
Session
FPS
BIO
MESO
Practical
Session
FPS
BIO
MESO
15.30 Refreshments Refreshments
16.00 Practical
Workshop
2
Practical
Workshop
4
Practical
Workshop
6
Practical
Workshop
8

Practical
Workshop
10

Practical
Session
FPS
BIO
MESO
Practical
Session
FPS
BIO
MESO
Departure
17.00 Research
Seminar
(A. Michaelides)
Research
Seminar
(C. Domene)
Student
Research
Seminars

Research
Seminar
(D. Lockerby)

Research
Seminar
(M. Bannerman)
Research
Seminar
(D. Quigley)
Research
Seminar
(M. Zwijnenburg)


Main lecturers Advanced Topics Research Seminars
John Harding (Sheffield) K. Refson (RH)/L. Bernasconi (RAL) A. Michaelides (London)
L. Lue (Strathclyde) R. Henchman(Man.)/S. Khalid(Southampton) C. Domene (King's College)
David Willock (Cardiff) I. Halliday/M. Seaton D. Lockerby (Warwick)
Jamshed Anwar (Lancaster) Local Organiser/Lecturer M. Bannerman (Aberdeen)
John Purton (STFC-RAL) Paola Carbone (Manchester) D. Quigley (Warwick)
M Zwijnenburg (UCL)


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