Research Topics

Novel devices from the computer industry, Nano-material/devices from Computational Chemistry, Nano-technology in Medicine, Polymers: Theory and Applications, Periodic and Quasi-Periodic systems, Reaction Dynamics, Theory for Catalysis, Quantum Chemical Methods in Bio-catalysis, Quantum Mechanical Applications, Accurate Quantum Chemical Models, Quantum Chemical Simulations, Quantum Mechanical Simulations, Computational Methods in Quantum Chemistry, Relativity Problems in Chemistry, Methodology Development and Application in Computational Biochemistry, Enhanced Sampling Methods for Molecular Simulation in Computational Biochemistry, Chemio-informatics, Drug Design, Computer Hardware, in particular the "k computer day".

“The K computer day” was a special one day presentation of the “K computer", one of the world most recent and fastest parallel supercomputers. The K computer is installed in Kobe, Japan (availability for shared use in the fall 2012). The “K computer day” was an event jointly sponsored by RIKEN Advanced Institute for Computational Science, Fujitsu, University of Pavia and Comitato TACC.

The program for the TACC-2012 Congress includes Invited Lectures, Oral Presentations, Poster Presentations and, in parallel, the K-day (on September 5-th) sponsored by RIKEN AICS and Fujitsu. The K-day features lectures and demonstration on the development of the recent K computer and a round table discussion on supercomputer applications, in particular for Computational Chemistry.