Contacts
ASC Program Director
James Peery
(jspeery@sandia.gov)
(505) 845-9490
ASC Communications
Reeta Garber
(ragarbe@sandia.gov)
Related Links
ASC Management
Molecular simulation on ASC computers is being used to study chemical processes in materials . This work has important applications to the aging and reliability of a variety of weapon components (e.g., semiconductors, HE, polymers). The GRASP parallel molecular dynamics code uses the ReaxFF force field to simulate the evolution of positions, bonding, and charge states of large numbers of atoms.