Timetable: subject to change
| Date |
Activity |
Location |
| July 14 Day 0 |
|
|
| 14:00 - 18:30 |
Arrival |
|
| 18:30-20:15 |
Dinner |
|
| July 15 Day 1 |
|
|
| 7:30 - 8.55 |
Coffee breakfast |
|
| 8:55 - 9.05 |
Quick Intro - James Dawson |
|
| 9:05 - 10:00 |
Fortran I/Python I AE/ |
(Fortran)/(Python) |
| 10:00 - 11:00 |
Fortran II/Python II AE/ |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Fortran III/Python III AE/ |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practical |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practical |
|
| 18:30-20:15 |
Dinner |
|
| July 16 Day 2 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Fortran IV/Python IV AE/ |
|
| 10:00 - 11:00 |
Fortran V/Python V AE/ |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Fortran VI/Python VI AE/ |
/ |
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practical |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practical |
|
| 17:10 - 18:10 |
Research Seminar |
|
| 18:00 - 21:00 |
Poster Session |
|
| July 17 Day 3 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Overview of molecular simulations - PC |
|
| 10:00 - 11:00 |
Statistical Mechanics 1 |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Statistical Mechanics 2 |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practical - Stat Mech Problems |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practical - setup the cloud |
|
| 17:10 - 18:10 |
|
|
| 18:30-20:15 |
Dinner |
|
| July 18 Day 4 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Introduction to force fields - PC |
|
| 10:00 - 11:00 |
Monte Carlo 1 - NA |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Monte Carlo 2 - NA |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practical - MC integration |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals - Intro to MC |
|
| 17:10 - 18:10 |
|
|
| 18:30-20:15 |
Dinner |
|
| July 19 Day 5 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Molecular Dynamics 1 - CF |
|
| 10:00 - 11:00 |
Molecular Dynamics 2 - CF |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Monte Carlo 3 - MA |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practical - Intro to MD |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals - Phase Equilibria |
|
| 17:00 - 18:15 |
Students Research Seminar 5x15min |
|
| 19:00-20:45 |
Dinner |
|
| July 20 Day 6 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Molecular Dynamics 3 - MA |
|
| 10:00 - 11:00 |
Long timescale methods - JH |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Optimisation methods - JH |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals - Stability + accur MD |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals - MD Constraints |
|
| 18:30-20:15 |
Dinner |
|
| July 21 Free day Day 7 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| July 22 Day 8 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Free energy methods 1 - JA |
|
| 10:00 - 11:00 |
Free energy methods 2 - JA |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Advanced Free Energy - LBP |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
practical Forcefield Optimisation |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
practical Thermostats |
|
| 17:10 - 18:10 |
|
|
| 18:30 - 20:15 |
Dinner |
|
| July 23 Day 9 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 11:00 |
Advanced Lectures 1-2 |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Advanced Lectures 3 |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 17:10 - 18:10 |
|
|
| 18:30-20:15 |
Dinner |
|
| July 24 Day 10 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 11:00 |
Advanced Lectures 4-5 |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Advanced Lectures 6 |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 18:30- |
|
|
| July 25 Day 11 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Advanced Lectures 7 |
|
| 10:00 - 11:00 |
Practicals |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Practicals |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Departure |
|
| {{< /bootstrap-table >}} |
|
|
Advanced Seminars may be structured different depending on the lecturers.
Advanced: Machine Learning
| Date |
Activity |
Location |
| July 23 Day 9 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Introduction to Machine learnt Interatomic potentials - GC |
|
| 10:00 - 11:00 |
Representation, Atomic Descriptors - IBM |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Kernel/Linear models: GAP/ACE IBM |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 17:10 - 18:10 |
Research Seminar |
|
| 18:30-20:15 |
Dinner |
|
| July 24 Day 10 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Neural Networks: MACE - IB |
|
| 10:00 - 11:00 |
Beyond RMSE, MD stability |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Training workflows - |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 18:30-20:15 |
Dinner |
|
| July 25 Day 11 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Error quantification / active learning |
|
| 10:00 - 11:00 |
Practicals |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Practicals |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
Advanced: Mesoscale
| Date |
Activity |
Location |
| July 23 Day 9 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 11:00 |
Advanced Lectures 1-2: Dissipative Particle Dynamics (MS) |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Advanced Lectures 3: DPD and mesoscale practicals (MS) |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 17:10 - 18:10 |
Research Seminar |
|
| 18:30-20:15 |
Dinner |
|
| July 24 Day 10 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 11:00 |
Advanced Lectures 4-5: Lattice Boltzmann (XX) |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Advanced Lectures 6: Lattice Boltzmann (XX) |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 18:30-20:15 |
Dinner |
|
| July 25 Day 11 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Advanced Lectures 7: Multicomponent Lattice Boltzmann (XX) |
|
| 10:00 - 11:00 |
Practicals |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Practicals |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
Advanced: First Principles
| Date |
Activity |
Location |
| July 23 Day 9 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Intro to DFT |
|
| 10:00 - 11:00 |
Intro to Crystal |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Intro to Castep |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 17:10 - 18:10 |
|
|
| 18:30-20:15 |
Dinner |
|
| July 24 Day 10 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Quantum Chemistry |
|
| 10:00 - 11:00 |
Reciprocal Space |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Planewave machinery |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|
| 15:30 - 16:00 |
Coffee break |
|
| 16:00 - 17:00 |
Practicals |
|
| 18:30-20:15 |
Dinner |
|
| July 25 Day 11 |
|
|
| 7:30 - 9:00ish |
Coffee breakfast |
|
| 9:00 - 10:00 |
Convergence |
|
| 10:00 - 11:00 |
Practicals |
|
| 11:00 - 11:30 |
Coffee break |
|
| 11:30 - 12:30 |
Practicals |
|
| 12:30 - 14:00 |
Lunch |
|
| 14:00 - 15:30 |
Practicals |
|