Theory Group
Current Speakers:
| Name | Affiliation | Date |
| Manikanthan Bhavaraju | Graduate Research Assistant, Department of Chemistry, Mississippi State University, "The Role of Oximes as Reactivators and Hydrolyzing Agents" | Monday 2:00-3:30 Rm 3232 |
| Shoresh Shafei | Graduate Research Assistant, Nonlinear Optics Group, Department of Physics & Astronomy, Washington State University.“Geometry- and topology-driven nonlinear optical response of quantum graphs” |
Friday, 5/31/13 1:30-3:00 Rm 3225 French FSC |
| Paul Ayers | Canada Research Chair in Theoretical Chemistry and Chemical Biology, Dept of Chemistry, McMaster University. "A Mean Field Method for Electron Pairs: A New Twist on an Old Approach to Strong Correlation." | Friday, 4/26/13 |
Double Header Yuriko Aoki Feng Long Gu |
Dr. Aoki, Prof Material Sciences, Engineering, Kyushu Univ; CREST Japan Science and Technology Agency, Kawaguchi, Saitama."Highly Accurate and Efficient Quantum Chemical Method for Nano-Bio Functional Designs." |
3/18/13 1:00-3:00 Rm 3232 |
| Viktor Staroverov |
Assoc. Professor, Dept. of Chemistry, University of Western Ontario, London, Ontario, Canada."Molecular properties from model Kohn-Sham potentials." | 2/15/13 10:30-11:55 Rm 5316 French FSC |
| Jianfeng Lu | Asst. Professor of Mathematics, Duke University, "Fast Algorithms for Density Functional Theory for Metallic Systems." | 10/22/12 |
| Heather Kulik | BWF_CASI fellow, Chemistry Dept. Stanford University, "Predictive enzyme catalysis and protein structure with quantum chemistry on the GPU." | 10/11/12 2:45-3:55 Rm 3232 French FSC |
| Odile Eisenstein | Directrice de Recherche Classe Exceptionnelle-CNRS, Universite Montpeliier 2, "CH bond activation by transition metal complexes. Some Thermodynamics and Mechanistic Issues." |
11:00-12:15 |
| Jing Kong | CEO of Q-Chem, "The Cooperativity of Ligand Binding Affinity between a C00-Group and a Side Chain and Possible Role of Water: Different Viewpoints from Chemists and Theoreticians." |
10:30 rm 3232 French FSC |
| Xin Xu | Professor, Dept. of Chemistry, Fudan University, China, “Development of New Density Functionals for Accurate Descriptions of Nonbond Interactions, Thermochemistry, and Thermochemical Kinetics” | 9/1/2011 |
| David Do Le Minh |
Research Associate, Argonne National Laboratory, Argonne, IL. "Nonequilibrium Driven Processes for Estimating Equilibrium Averages and Free Energies" |
7/18/2011 |