Lectures and Projects
Nov 2 Nov 3 Nov 4 Nov 5 Nov 6 Nov7
09.00 Num An 1 Num An 2 Num An 3 Num An 4 Mat Sci 3 Mat Sci 4
11.00 Chem/Bio 1 Chem/Bio 3 Mat Sci 1 Mat SCi 2 Num An 5 Chem/Bio 8
15.00 Chem/Bio 2 Chem/Bio 4 Nano 3 Chem/Bio 6 Chem/Bio 7 Posters
17.00 Nano 1 Nano 2 Chem/Bio 5
Nov 9 Nov 10 Nov 11 Nov 12 Nov 13
09.00-13.00 Projects Projects Projects Projects Projects
All lectures are held in room FB53 at Alba Nova (level 5 in main building).
1. Molecular dynamics (BS)
2. Quantum Classical Methods (KM)
3. Dissipative particle
dynamics simulations: the basics (ZL)
4. QMMM for chemical
reaction rates and electro-magnetic properties (KM)
5. Dissipative particle dynamics simulations: mapping onto atomistic models (ZL)
Extending Length and Time Scales (BS)
7. Parallel computing (BS)
8. Theoretical Approaches for
Aerosol particles, Bionano-Optics and Carbon-Nanotubes. (KM)
Numerical Analysis Lectures
1. Transition path theory (TPT) for
metastable systems, Asymptotic expansion based on TPT (EVE)
2. Markov Processes and Transfer
operator, Molecular Dynamics (MD) and Markov State Models (MSM) (CS)
3. Approximation Properties of MSMs (CS), Methods for pathways calculations (EVE)
Asymptotic expansion based on TPT, Methods for pathways calculations (EVE)
Estimation of MSMs based on MD trajectories, TPT and Protein Folding (CS)
Nano Science Lectures
1. Light-matter interaction in nanostructures (YF)
2. Finite difference
time-domain simulations of excitons, plasmons and polaritons (YF)
3. Quantum mechanics for quantum nanoparticles
Materials Science Lectures
1. Embedding quantum
mechanical systems in classical environments (TW)
2. Ensembles, free
energy calculations, and phase diagrams (MD)
3. Crystal structure of colloids and
4. Spin-dynamics, from electronic structure to
magnetisation dynamics of
nano-scale objects (OE)
KM = Kurt Mikkelsen
ZL = Zongyuan Lu
BS = Bill Smith
CS = Christof
EVE = Eric van den Eijnden
YF = Ying Fu
MD = Marjolein Dijkstra
OE = Olle Eriksson
Bill Smith "Molecular Dynamics 1"
Bill Smith "Molecular Dynamics 2"
Bill Smith "Parallel Molecular Dynamics 1"
Bill Smith "Parallel Molecular Dynamics 2"
Introduction to Mesoscale Simulation"
"Hyperdynamics and Metadynamics"
Schütte "Molecular Dynamics and Transfer Operators"
"Discretization of Transfer Operators and Markov State Models"