Research Topic Projects Equipment
We are looking for
new M.S. , Ph.D.
and Post Doc
Candidates.
¡Ü Linux Cluster (64bit)
Total memory : 474 GB
Total Disk space : 13.5 TB
¡Ü Calculation packages
Gaussian 03 / 09
Gaussian predicts the energies, molecular structures and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. It can be used to study molecules and reactions, inculding both stable species and unstable of non-observable such as short-lived intermediates and transition structures.
(Homepage)
CHARMM 32 - Chemistry at HARvard Macromolecular Mechanics
CHARMM is a versitile and widely used molecular simulation program with broad application to many-particle systems. It has been developed with a primary focus on the study of molecules of biological interst, including peptides, proteins, prosthetic groups, small molecule ligands, nucleic acids, lipids, and carbonydrates, as they occur in solution, crystal and membrane environments.
(Homepage)
VASP- Vienna Ab-initio Simulation Package
VASP is a package for performing ab-inio quantum-mechanical molecular (MD) using psudopotential and plane wave basis set. The approach implemented in VASP is based on the (finite-temperature) local-density approximation with the free energy as variational quantity and an exact evaluation of the instantaneous electronic ground state at each MD time step
(Homepage)
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