Theoretische Chemie, Ruhr-Universität Bochum, www.theochem.ruhr-uni-bochum.de PDF Version



John von Neumann Institute for Computing

Winter School: "Quantum Simulations of Complex Many-Body Systems: "From Theory to Algorithms", 25 February - 1 March 2002, Rolduc / Kerkrade (NL) This Winter School continues a recently lauched series of schools and conferences in Computational Science organized by the John von Neumann Institute for Computing (NIC). It will cover modern quantum simulation techniques and their implementation on high-performance computers, in particular on parallel systems. The focus clearly 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 one 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. The participants - being mostly graduate students, postdocs as well as young researchers in the area of theoretical/computational physics and chemistry - are expected to have basic knowledge of quantum, classical, and statistical mechanics. They will benefit from this School by learning about recent methodological advances within and outside their field of specialization. In addition, they will get insights into recent software development and implementation issues involved, in particular in the context of high-performance computing. Scientific Programme Committee Johannes Grotendorst, Forschungszentrum Juelich Dominik Marx, Ruhr-Universitaet Bochum Alejandro Muramatsu, Universitaet Stuttgart Posters are invited. More information: http://www.fz-juelich.de/wsqs

Theoretische Chemie, Ruhr-Universität Bochum, www.theochem.ruhr-uni-bochum.de PDF Version

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