Computational Chemistry and Molecular Modelling
A. Clark Group
Research
- Structure and bonding within mineralogical nuclear waste forms
- Electronic structure of solution phase heavy elements and developing thier classical potentials
- Molecular photochemistry
Facilities
The Clark group currently maintains an 88 processor research computing cluster for use in both both quantum mechanical calculations and classical simulations. We also have computing time at the supercomputer at the Environmental Sciences Laboratory at Pacific Northwest National Labs and maintain the 28 processor radiochemistry research cluster.
The Clark group also houses the WSU - Computational Actinide Science Database (www.cans.wsu.edu), which is a free upload and download site for computational and simulations results in the area of f-element chemsitry. This site is currently in the beta testing phase, but feel free to contribute or send suggestions for improvements to Prof. Clark (auclark@wsu.edu).
Collaborations
Members of the Clark group are highly collaborative both inside and outside academia. Within the Chemistry department we collaborate with Profs. Sue Clar, Ken Nash, Jim Hurst, Jeanne McHale, Alex Li, and Herb Hill. In industry we have an active collaboration with members of Shephard Chemical company. Collaborative relationships also exist with Idaho National Laboratory, Pacific Northwest National Laboratory and Los Alamos National Laboratory.
Recent Pics
Adriana and Matthew talking with potential graduate students at the recruiting poster session.
Recent News!
4/08: Aurora recieves Young Faculty Performance Award from College of Sciences.
4/08: Undergraduate research Brandon Kvamme presents his work at the WSU COS undergrad poster session. Good Job Brandon!
4/08: Murdock Partners in Science Grant proposal is funded to allow local High School Teacher MaryAnn Thornton to work in the lab for the next two summers.
1/15/08: Grad. Natalia Zhackarova joins the group. Welcome Natalia!
1/15/08: Undergrad. Stephanie Westcott joins the group for Chem 499. Welcome Stephanie!
8/15/07: Post-doc Matthew Wander starts fresh from his Ph.D. at SUNY Stonybrook. Welcome Matthew!
8/15/07:Post-doc Changyong Qin obtains a faculty position at Vassar College. You will be missed CY!
8/07: Aurora presents invited talk at Boston ACS Meeting "The role of surface charge density in Ln(III) and An(IV)-(VI) hydration"
7-8/07: Dr. Adriana Dinescu (INL) works for the summer on hydration properties of Ce(III).