Dear All I read research papers in which nanocluster geometry discussed along with their bond length, bond angles, and relatively stability also discussed. I am interested in gold cluster over metal oxide surfaces for bio molecule detection, can I proceed as follows:
1. Take geometry information from reported papers and put it on surface and then perform conjugate gradient relaxation. 2. After getting the cluster over the surface then CG-relaxation of a bio molecule over it performed. 3. Finally, electronic structure calculation performed. Actually, we are limited by computational power hence directly performing ab initio MD is not possible. Can we proceed as described above? what precautions should I take if above method is possible? I am keep searching but not getting the satisfactory answer. kindly enlighten me, I will be highly obliged. With Regards Riya
