calque

Workshops

Linear-scaling ab initio calculations: applications and future directions

September 3, 2007 to September 6, 2007
Location : CECAM 46 allée d'Italie 69007 Lyon France


Day 1 - September, 3rd 2007

Applications to nanostructures and biomolecules

Day 2 - September, 4th 2007

Energy minimisation functionals and algorithms

Day 3 - September, 5th 2007

Linear-scaling methods in dynamics simulations or beyond DFT and ground state properties

Day 4 - September, 6th 2007

Other approaches for linear-scaling, including methods for metals