The first aixCCAD article:

[1] Chemical Reactions within Fe/AlN Layered Nanocomposites: A Simulation Study based on Crystal-Chemical Atomic Dynamics, R. Dronskowski, B. Eck, S. Kikkawa, Jpn. J. Appl. Phys. 2000, 39, 3326.

The machinery:

[2] Atomistic Simulations of Solid-State Materials based on Crystal-Chemical Potential Concepts: Basic Ideas and Implementation, B. Eck, R. Dronskowski, J. Alloys Comp., 2002, 338, 136.

Some first applications:

[3] Atomistic Simulations of Solid-State Materials based on Crystal-Chemical Potential Concepts: Applications for Compounds, Metals, Alloys, and Chemical Reactions, B. Eck, Y. Kurtulus, W. Offermans, R. Dronskowski, J. Alloys Comp., 2002, 338, 142.

Institute of Inorganic Chemistry
Chair of Solid-State and Quantum Chemistry
Prof. Dr. R. Dronskowski