1. The Pennsylvania State University, Fayette-The Eberly Campus, 2201 University Drive, Lemont Furnace, Pennsylvania 15456, United States
2. Accelrys Inc., 5005
Wateridge Vista Drive, San Diego, California 92121, United States
3. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany