Timetable¶
Abbreviations¶
- Boiler House: Boiler House - breakfast/lunch/dinner/poster
- HB: Herschel Building
- BB: Bedson Building
- BSTC: Barbara Strand Teaching Centre
- WB: Wylam Brewery
you can use also the roomfinder to locate the rooms, please not it may not work if connected to eduroam.
IBM - Ioan-Bogdan Magdău AE - Alin Elena LL - Leo Lue PC - Paola Carbone NA - Neil Allan CF - Colin Freeman MA - Mike Allen JH - John Harding DQ - David Quigley MS - Michael Seaton TR - Tim Reis WB - William Baldwin IS - Isaac Parker SH - Sarah Harris KH - Kate Harris DC - Daniel Cole JG - Jasmin Güven FC - Finlay Clarke LR - Laura Radcliff BS - Barry Searle MP - Matt Probert
Programming & Basic Simulations¶
| Date | Activity | Location |
|---|---|---|
| July 19, Sunday Day 0 | ||
| 12:00ish - 17:00 | Arrival, outside of these hours contact security at 00441912086817 | Park View Accomodation Reception |
| July 20, Monday Day 1 | ||
| 8:00 - 8.55 | Coffee breakfast | Boiler House |
| 8:55 - 9.05 | Quick Intro - IBM | HB Lecture Theatre1 |
| 9:05 - 10:00 | Fortran I - AE / Python I - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 10:00 - 11:00 | Fortran II - AE / Python II - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Fortran III - AE / Python III - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Fortran Practical - AE / Python - LL | HB 1.Full PC Cluster / HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Fortran Practical - AE / Python - LL | HB 1.Full PC Cluster / HB 1.Full PC Cluster |
| 18:00-20:00 | Dinner | Boiler House |
| July 21, Tuesday Day 2 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Fortran IV - AE / Python IV - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 10:00 - 11:00 | Fortran V - AE / Python V - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Fortran VI - AE / Python VI - LL | HB Lecture Theatre1 / HB 1.Full PC Cluster |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Fortran Practical - AE / Python - LL | HB 1.Full PC Cluster / HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Fortran Practical - AE / Python - LL | HB 1.Full PC Cluster / HB 1.Full PC Cluster |
| 17:30 - 20:00 | Poster Session | Boiler House |
| July 22, Wednesday Day 3 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Overview of molecular simulations - PC | HB Lecture Theatre1 |
| 10:00 - 11:00 | Statistical Mechanics 1 - LL | HB Lecture Theatre1 |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Statistical Mechanics 2 - LL | HB Lecture Theatre1 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical - Stat Mech Problems | HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Practical - Stat Mech Problems/setup the cloud | HB 1.Full PC Cluster |
| 17:10 - 18:10 | Research Seminar: Beyond the Black Box: Molecular Simulations to Leverage Machine Learning in Physical Chemistry - Prof Gabriele Sosso - University of Warwick | HB Lecture Theatre 1 |
| 18:10 - 20:15 | Dinner | Boiler House |
| July 23, Thursday Day 4 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Introduction to force fields - PC | HB Lecture Theatre1 |
| 10:00 - 11:00 | Monte Carlo 1 - NA | HB Lecture Theatre1 |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Monte Carlo 2 - NA | HB Lecture Theatre1 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical - MC integration | HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Practicals - Intro to MC | HB 1.Full PC Cluster |
| 17:10 - 18:10 | Research Seminar: Computationally Led Catalyst Design - Dr Cristina Trujillo - University of Manchester | HB Lecture Theatre 1 |
| 18:10-20:15 | Dinner | Boiler House |
| July 24, Friday Day 5 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Molecular Dynamics 1 - CF | HB Lecture Theatre1 |
| 10:00 - 11:00 | Molecular Dynamics 2 - CF | HB Lecture Theatre1 |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Monte Carlo 3 - MA | HB Lecture Theatre1 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical - Intro to MD | HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Practicals - Phase Equilibria | HB 1.Full PC Cluster |
| 17:10 - 18:10 | Research Seminar: Dr Raffaela Cabriolu - Norwegian University Of Science and Technology | HB Lecture Theatre 1 |
| 18:10-20:15 | Dinner | Boiler House |
| July 25, Saturday Day 6 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Molecular Dynamics 3 - MA | HB Lecture Theatre1 |
| 10:00 - 11:00 | Long-range forces - JH | HB Lecture Theatre1 |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Optimisation methods and dealing with rare events - JH | HB Lecture Theatre 1 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practicals - Stability + accur MD | HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Practicals - MD Constraints | HB 1.Full PC Cluster |
| 17:10 - 18:15 | Student Seminars | HB Lecture Theatre1 |
| 18:15-20:15 | Dinner | Boiler House |
| July 26, Sunday Free day Day 7 | ||
| 8:00 - 10:00ish | Coffee breakfast | Boiler House |
| July 27, Monday Day 8 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Free energy methods 1 - DQ | HB Lecture Theatre1 |
| 10:00 - 11:00 | Free energy methods 2 - DQ | HB Lecture Theatre1 |
| 11:00 - 11:30 | Coffee break | HB Foyer |
| 11:30 - 12:30 | Advanced Free Energy - DQ | HB Lecture Theatre1 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical Forcefield Optimisation | HB 1.Full PC Cluster |
| 15:30 - 16:00 | Coffee break | HB Foyer |
| 16:00 - 17:00 | Practical Thermostats | HB 1.Full PC Cluster |
| 17:10 - 18:10 | Research Seminar: Dr Andrew McCluskey - University of Bristol | HB Lecture Theatre 1 |
| 18:55 - 19:00 | Group Picture | WB |
| 19:00 - 22:00 | Conference dinner | WB |
Advanced lectures may be structured different depending on the lecturers' approach.
Advanced Lectures¶
| Date | Activity | Location |
|---|---|---|
| July 28, Tuesday Day 9 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 12:30 - 14:00 | Lunch | Boiler House |
| 15:30 - 16:00 | Coffee break | Boiler House. |
| 17:10 - 18:10 | Research Seminar: Smooth Particle Hydrodynamics - the Swiss Army knife of Simulation Methodology - Dr Karl Travis - University of Sheffield | BB G04 |
| 18:10-20:00 | Dinner | Boiler House |
| July 29, Wednesday Day 10 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 12:30 - 14:00 | Lunch | Boiler House |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 18:10-20:00 | Dinner | Boiler House |
| July 30, Thursday Day 11 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 12:30 - 14:00 | Lunch | Boiler House |
Machine Learning Interatomic Potentials¶
| Date | Activity | Location |
|---|---|---|
| July 28, Tuesday Day 9 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Introduction to Machine learnt Interatomic potentials - IBM | BSTC SIDE PC |
| 10:00 - 11:00 | Lecture | BSTC SIDE PC |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30-12:30 | Lecture | BSTC SIDE PC |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical | BSTC SIDE PC |
| 15:30 - 16:00 | Coffee break | Boiler House. |
| 16:00 - 17:00 | Practical | BSTC SIDE PC |
| 17:10 - 18:10 | Research Seminar: Smooth Particle Hydrodynamics - the Swiss Army knife of Simulation Methodology - Dr Karl Travis - University of Sheffield | BB G04 |
| 18:10-20:00 | Dinner | Boiler House |
| July 29, Wednesday Day 10 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Lecture | BSTC SIDE PC |
| 10:00 - 11:00 | Lecture | BSTC SIDE PC |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30-12:30 | Lecture | BSTC SIDE PC |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practical | BSTC SIDE PC |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 16:00 - 17:00 | Practical | BSTC SIDE PC |
| 18:10-20:00 | Dinner | Boiler House |
| July 30, Thursday Day 11 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Lecture/Practical | BSTC SIDE PC |
| 10:00 - 11:00 | Lecture /Practical | BSTC SIDE PC |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30-12:30 | Lecture /Practical | BSTC SIDE PC |
| 12:30 - 14:00 | Lunch | Boiler House |
Mesoscale¶
| Date | Activity | Location |
|---|---|---|
| July 28, Tuesday Day 9 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 11:00 | Advanced Lectures 1-2: Dissipative Particle Dynamics (MS) | BSTC G.36 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | Advanced Lectures 3: DPD and mesoscale practicals (MS) | BSTC G.36 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practicals | BSTC G.36 |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 16:00 - 17:00 | Practicals | BSTC G.36 |
| 17:10 - 18:10 | Research Seminar: Smooth Particle Hydrodynamics - the Swiss Army knife of Simulation Methodology - Dr Karl Travis - University of Sheffield | BB G04 |
| 18:10-20:00 | Dinner | Boiler House |
| July 29, Wednesday Day 10 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 11:00 | Advanced Lectures 4-5: Lattice Boltzmann (TR) | BSTC G.36 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | Advanced Lectures 6: Lattice Boltzmann (TR) | BSTC G.36 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practicals | BSTC G.36 |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 16:00 - 17:00 | Practicals | BSTC G.36 |
| 17:10 - 18:10 | BB G04 | |
| 18:10-20:00 | Dinner | Boiler House |
| July 30, Thursday Day 11 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Advanced Lectures 7: Multicomponent Lattice Boltzmann (TR) | BSTC G.36 |
| 10:00 - 11:00 | Practicals | BSTC G.36 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | Practicals | BSTC G.36 |
| 12:30 - 14:00 | Lunch | Boiler House |
Advanced: First Principles¶
| Date | Activity | Location |
|---|---|---|
| July 28, Tuesday Day 9 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Intro to DFT - MP | BSTC 3.30 |
| 10:00 - 11:00 | Reciprocal Space + Plane Waves - MP | BSTC 3.30 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | Convergence & Intro to CASTEP - MP | BSTC 3.30 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practicals CASTEP | BSTC 3.30 |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 16:00 - 17:00 | Practicals CASTEP | BSTC 3.30 |
| 17:10 - 18:10 | Research Seminar: Smooth Particle Hydrodynamics - the Swiss Army knife of Simulation Methodology - Dr Karl Travis - University of Sheffield | BB G04 |
| 18:10-20:00 | Dinner | Boiler House |
| July 29, Wednesday Day 10 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Practicals CASTEP | BSTC 3.30 |
| 10:00 - 11:00 | Quantum Chemistry - BS | BSTC 3.30 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | Intro to CRYSTAL - BS | BSTC 3.30 |
| 12:30 - 14:00 | Lunch | Boiler House |
| 14:00 - 15:30 | Practicals CRYSTAL | BSTC 3.30 |
| 15:30 - 16:00 | Coffee break | Boiler House |
| 16:00 - 17:00 | Practicals CRYSTAL | BSTC 3.30 |
| 17:10 - 18:10 | BB G04 | |
| 18:10-20:00 | Dinner | Boiler House |
| July 30, Thursday Day 11 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00 - 10:00 | Real-space DFT + Intro to BigDFT - LR | BSTC 3.30 |
| 10:00 - 11:00 | BigDFT practical | BSTC 3.30 |
| 11:00 - 11:30 | Coffee break | Boiler House |
| 11:30 - 12:30 | BigDFT practical | BSTC 3.30 |
| 12:30 - 14:00 | Lunch | Boiler House |
Advanced: Biological Simulations¶
| Date | Activity | Location |
|---|---|---|
| July 28, Tuesday Day 9 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00-10:00 | Lecture MD Setup, parametrization and docking (JG/FC/DC) | BSTC 2.40.PC |
| 10:00-11:00 | Lecture | BSTC 2.40.PC |
| 11:00-11:30 | Coffee | Boiler House |
| 11:30-12:30 | Lecture | BSTC 2.40.PC |
| 12:30-14:00 | Lunch | Boiler House |
| 14:00-15:30 | Practical (AM) | BSTC 2.40.PC |
| 15:30-16:00 | Coffee | Boiler House |
| 16:00-17:00 | Practical | BSTC 2.40.PC |
| 17:10 - 18:10 | Research Seminar: Smooth Particle Hydrodynamics - the Swiss Army knife of Simulation Methodology - Dr Karl Travis - University of Sheffield | BB G04 |
| 18:10-20:00 | Dinner | Boiler House |
| July 29, Wednesday Day 10 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00-10:00 | Lecture: VND (SH) | BSTC 2.40.PC |
| 10:00-11:00 | Lecture | BSTC 2.40.PC |
| 11:00-11:30 | Coffee | Boiler House |
| 11:30-12:30 | Lecture | BSTC 2.40.PC |
| 12:30-14:00 | Lunch | Boiler House |
| 14:00-15:00 | Practical | BSTC 2.40.PC |
| 15:00-15:30 | Coffee | Boiler House |
| 15:30-17:00 | Practical | BSTC 2.40.PC |
| 17:10 - 18:10 | BB G04 | |
| 18:10-20:00 | Dinner | Boiler House |
| July 30, Thursday Day 11 | ||
| 8:00 - 9:00ish | Coffee breakfast | Boiler House |
| 9:00-10:00 | ||
| 10:00-11:00 | ||
| 11:00-11:30 | Coffee | Boiler House |
| 11:30-12:30 | ||
| 12:30 - 14:00 | Lunch | Boiler House |