Understanding the structural and electronic properties of materials has expanded rapidly with the recent advance in scientific computing. Our group uses ab initio electronic structure calculations, solving Schrodinger's equation in solids with little more information than the atomic positions and crystal structure, to understand the properties of materials. We use the linear muffin-tin orbital method (LMTO) both within the atomic sphere approximation (ASA) and in full-potential (FP). Our current interests include nitride spintronic materials,   defects of chalcopyrite semiconductors,  We also use the plane wave pseudo-potential codes to study the high pressure phase of  III-V and II-VI compouds and peizoelectric properties of the PZT.

NEWS

• 3/10-3/14/2008 : Attending and presenting individual talks at APS march meeting in New orleans
  
• 11/28/2007: Walter Lambrecht   presented a contributed talk at MRS Fall meeting 2007.
  
• 11/26/2007: Tula Paudel presented a contributed talk at MRS Fall meeting 2007.
  
• 9/4/2007 : NSF awards Materials World Network on Rare Earth and Transition Metal Nitride Spectroscopic Studies
  
• 4/11-12/2007: Chandrima Mitra receives honorable mention for her poster at the Research ShowCASE 2007 in Cleveland, OH
• 7/31-8/11/2006: Chandrima Mitra attends the Summer School on Computational Materials Science in Urbana-Champaign, IL
• 6/23-25/2006:  Prof. Lambrecht, Aditi Herwadkar, and Pavel Lukashev attend and present posters (1,2) at the 18th Annual Workshop on Recent Developments in Electronic Structure Methods at The Ohio State University in Columbus
• 4/6/2006: Presenting posters (Larson & Herwadkar, Lukashev, Miao, Paudel) at the Research ShowCASE in Cleveland
• 3/13-17/2006: Attending and presenting individual talks at the APS March meeting in Baltimore
• 10/1/2005: Segall Fest : a one day symposium to celebrate the 80th birthday of Prof. Segall
• 9/18-23/2005: Dr. Miao presents an invited talk and a poster at the International Conference on Silicon Carbide and Related Materials in Pittsburgh, PA
• 8/27/2005: Tula R Paudel joins the group.
• 8/17/2005: Chandrima Mitra joins the group.
• 8/1-5/2005: Dr. Miao presents a talk at the 2005 14th APS Topical Conference on Shock Compression of Condensed Matter in Baltimore, MD
• 6/13-24/2005: Aditi Herwadkar and Pavel Lukashev attend the Summer School on Computational Materials Science in Urbana-Champaign, IL
• 5/12/2005: Xiaoshu Jiang successfully presents his Ph.D. defense
• 4/7/2005: Presenting a group poster for Research ShowCASE in Cleveland. See a picture of our poster at the Research ShowCASE website
• 3/21-25/2005: Attending and presenting individual talks at the APS March meeting in Los Angeles
• 2/11/2005: Website now online
• 1/11-6/27/2005: Prof. Lambrecht on sabbatical
• 7/26/2004: Prof. Lambrecht acquires of a Beowulf cluster (article 2, 3, 4) from the Ohio Supercomputer Center

PICTURE OF THE MONTH