This Winter School will teach modern quantum simulation techniques and their implementation on high-performance computers, in particular on parallel systems. The focus is on numerical methods, which are tailored to treat large quantum systems with many coupled degrees of freedom ranging from superfluid Helium to chemical reactions. Among others, the following topics will be covered:
- Diffusion and Green's function Monte Carlo
- Path integral Monte Carlo and molecular dynamics;
- Car-Parrinello / ab initio molecular dynamics;
- Real-time quantum dynamics for large systems;
- Lattice and continuum algorithms;
- Exchange statistics for Bosons and Fermions / sign problem;
- Parallel numerical techniques and tools;
- Numerical integration and random numbers.
This strongly interdisciplinary School aims at bridging three "gaps" in the vast field of large-scale quantum simulations. The first gap between chemistry and physics, the second one between typical graduate courses in these fields and state-of-the-art research, and finally the one between the Monte Carlo and molecular dynamics communities.