A review paper on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem.

A review paper on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem.

“DCDFTBMD: Divide-and-Conquer Density Functional Tight-Binding Program for Huge-System Quantum Mechanical Molecular Dynamics Simulations”
Yoshifumi Nishimura Hiromi Nakai, J. Comput. Chem.