Computational Nanoscience Group

The past two years have seen Rahman and co-workers engage in several new and interdisciplinary research projects.  An exploratory grant from NSF (NER) in understanding novel properties of single molecule magnets has launched Marisol Alcantara-Ortigoza well into her PhD research in this timely system.  Collaboration with visiting Professor R. Klemm has been a big help in this project.  The award of a recent ITR grant to Rahman with Professors Wallentine and Hsu from Computer Science Department, and Professor Amar from Toledo as Co-PI’s has provided avenues for integrating advances in information technology to ongoing research in the modeling of thin film growth on substrates, started four years back through a collaborative grant in Nanoscale Modeling from NSF with Co-PI’s Einstein from Maryland, Evans from Iowa State, and Fichthorn from Penn. State.  Rahman’s group is also benefiting from ongoing collaborations in developing a framework for the design of nano-scale catalysts with experimentalists Professor Bartels at UC Riverside and Professors Heinz and O’Brien at Columbia University, through funding from a DOE initiative in the area.  The bread-and-butter grants from NSF and DOE, have of course served as the catalysts for the ones through the new initiatives, for which we are grateful.  We are also grateful to Kansas State University for an internal grant (Biomaterials by Design) in which we are part of a group of researchers from three Colleges. 

International collaborations have facilitated the travel of graduate students Altaf Karim to the Fritz Haber Institute, Berlin, (Professor Ertl’s laboratory) and Faisal Mehmood and Sampyo Hong to Forschungszentrum Karlsruhe (Dr. Bohnen’s group).  Research Professor Kara has spent the past two summers in collaborative work with colleagues at the University of Zurich (Professor Osterwalder’s laboratory) and CRMCN, Marseille (Dr. Henry’s laboratory), and Rahman has spent summer months at institutes in Berlin, Helsinki, Leiden, and Marseille.  We are also excited about our collaborative research with Dr. Trushin’s group in Yaroslavl in multiscale modeling of surface phenomena, which has been greatly facilitated by the award of a CRDF grant.  Dr. Trushin and graduate student Petr Vikulov have spent time with us at Kansas State and Dr. Kara spent a month working in Yaroslavl.  Collaboration with Professor Durukanoglu at Istanbul Technical University on the dynamics and thermodynamics of nanostructured surfaces has proceeded through the fruitful visit of graduate student Handan Yildrim to Manhattan.  Our contacts with scientists in Pakistan continue through the organization of workshops (Rahman was a co-organizer for one on Nanotechnology and Semiconductor Physics in April, 2004, in Islamabad) and the International Nathiagali Summer College which continues to be a highlight of Rahman’s summer activities.  Postdoctoral associate Dr. Al Rawi is also doing a great job in outreach activities by involving high school students in some aspects of our research projects.  Of course, the group benefits greatly from the work and wisdom of Drs. Stolbov and Spangler.  Rahman continues to be a member of the Executive Committee of the Division of Materials Physics of the American Physical Society.  She has also been selected as a distinguished lecturer for the Sigma Xi society and enjoys traveling to places to give public lectures on some of her pet themes.  Both she and Dr. Kara have helped organize several national and international meetings in the past two years.