Welcome to Quantum
Chemistry Group
Kyungpook
National University
This server contains personal home pages and project descriptions for the Choi
Group at Kyungpook National University.
The
research performed by KNU quantum chemistry group is composed of new
quantum theory developments and their applications. The specific interests
are
- Development of linear scaling quantum methods of Hartree-Fock and
post-Hartree-Fock electron structure theories to overcome high scaling barriers
of conventional theories.
- Applications of linear scaling quantum theories
to nano-size materials.
- Development and application of QM/MM methods especially for the
design of new functional semiconductor devices.
- Development and application of linear scaling AIMD(ab initio
Molecular Dynamics) for the study of mechanical properties of materials
upto picosecond timescale.
To facilitate theory developments
and calculations such as those described above, we are working closely with
Gordon group who develops, maintains and distributes (free of charge) the popular
electronic structure suite of programs called GAMESS (General Atomic and Molecular
Electronic Structure System).
We
are looking for new M.S. and Ph.D. Candidates. If you are interested, send an email to
cchoi@knu.ac.kr
This machine
is running the Apache server