E. Applications

Molecular Modelling

Organizer(s)

Prof. Dr. Folkmar Bornemann   (bornemann@mathematik.tu-muenchen.de)

Key note speaker

Dr. Christof Schütte   (schuette@zib.de)

Conformational Dynamics: How to Compute Almost Invariant Structures in the Complicated Motion of Molecular Ensembles

Invited speakers

Prof. George A. Hagedorn   (hagedorn@math.vt.edu)

Molecular Propagation through Crossings and Avoided Crossings of Electron Energy Levels

Prof. Alain Joye   (alain.joye@ujf-grenoble.fr)

Adiabatic Evolution of Systems with Infinitely many Eigenvalue Crossings

Peter Nettesheim   (nettesheim@zib.de)

Enhanced Quantum-Classical Molecular Dynamics: Models and Numeral Integrators

Dr. Tamar Schlick   (schlick@nyu.edu)

Molecular Dynamics Simulations of Biomolecules

Contributed talks

Dr. Braams Bastiaan J   (braams@courant.nyu.edu)

Electronic structure calculations via reduced density matrices and semidefinite programming

equadiff@math.fu-berlin.de    Aug 07 1999