Index

Material from the NWChem tutorial at A*STAR in Singapore on October 23-25, 2012

• Introduction

• SCF, DFT and TDDFT

• Correlated Methods

• Relativity and Spectroscopy

• MD and QM/MM
  tar file with QM/MM hands-on exercises available at
  https://rawgit.com/nwchemgit/nwchem-wiki/master/tutorial_singapore2012/tutorialqmm_new.tar.bz2
  https://rawgit.com/nwchemgit/nwchem-wiki/master/tutorial_singapore2012/prepare-0.tar.bz2

• Plane-Wave

• Applications

• Parallelization and Benchmarks

• tar file with hands-on exercises for all sessions available at
  https://rawgit.com/nwchemgit/nwchem-wiki/master/tutorial_singapore2012/tutorial.tar.bz2