WATOC 2008

Software Developers Symposium

One of the innovative features of WATOC 2008 will be a Software Symposium where we have invited representatives from all the leading computational chemistry programs to talk about the current capabilities and strengths of their programs and also about their visions for the future. Congress participants will be able to hear about the latest exciting developments from senior scientists directly involved with the developments, and will hear about the exciting scientific possibilities that are then created. The Confirmed Acceptances are as follows:

Evert Jan Baerends: The Amsterdam Density Functional Program Suite ADF: What is Old, What is New

Bernard Brooks: CHARMM: Using CHARMM for Multiscale Modeling and Examining Complex Reactions

Daniel Crawford: The PSI3 Program Package: An Open-Source Quantum Chemistry Suite

Alessandro Curioni: CPMD: New Frontiers for Ab-Initio Molecular Dynamics with CPMD in the Petaflop Era

Wibe de Jong: NWChem: Pushing the Scientific Envelope on Large Computing Platforms

George Fitzgerald: Towards Multiscale Modeling of Materials: Quantum Mechanics-Based Methods for Extremely Large Systems Using Materials Studio

Julian Gale: The SIESTA Approach to Linear-Scaling Density Functional Theory

Jürgen Gauss: ACES2: Computational Chemistry With State-of-the-Art Coupled-Cluster Techniques

Jeremy Greenwood: A Brief Introduction to Schrodinger's 2008 Modelling Suite

Jürgen Hafner: Ab-initio Simulations of Materials Using VASP: Density Functional Theory and Beyond

Christof Hättig: Turbomole: Coupled-Cluster Response Theory for Large Molecules with Turbomole: On the Performance of Spin-Component Scaled CC2 Approaches

Martin Head-Gordon: Q-Chem: Quantum Chemical Advances in the Q-Chem Program Package

Trygve Helgaker: The Dalton Quantum-Chemistry Program: Current Capabilities and Ongoing Development

Andreas Klamt: COSMO-RS: Much More Than Just COSMO

Roland Lindh: The MOLCAS Package: A Platform for Application and Development of Ab Initio Methods

Hans Lischka: COLUMBUS: An Efficient Quantum Chemical Tool for Multireference Configuration Interaction

Alan Mark: Modelling the Dynamic Behaviour of Large Scale Biomolecular Systems: The GROMOS and GROMACS Simulation Packages

Kenneth Merz: The Past, Present and Future of the AMBER Biomolecular Modeling Package

Neil Ostlund: Design Ideas in HyperChem and HyperProtein

Peter Pulay: Quantum Chemistry in Parallel with PQS

Michael Schmidt: Parallel Quantum Chemistry with the GAMESS Code

James Stewart: Current Status of the Semiempirical Program MOPAC2007