BS, University of Vermont, 1985 PhD, University of Delaware, 1993

My research may be broadly classified as computational and theoretical materials-related chemistry. Under this umbrella I have two major research thrusts. The first major research thrust is in complex catalytic materials. The second major research thrust is in mechanical and electrical molecular devices.

Kerwin D. Dobbs* and Karl Sohlberg, 2-phenylpyridine: To Twist or not to Twist?" J. Chem. Theo. Comp., (accepted).

Karl Sohlberg*, "Introductory Remarks: Special Issue on theoretical and computational studies of interlocked molecules and molecular devices," J. Comput. Theor. Nanosci. (accepted).

Ari Silver and Karl Sohlberg*, "Semi-Classical Quantization of the shuttling eigenstates in a [2] Rotaxane", J. Comput. Theor. Nanosci. (accepted).

Karl Sohlberg* and Ki-Ho Lee, "An introduction to modeling interlocked molecule systems and application to a "molecular elevator", J. Comput. Theor. Nanosci. (accepted).

Xiange Zheng and Karl Sohlberg*, "Origin of co-conformational selectivity in a [3]rotaxane," J. Phys. Chem. A, 110(42), (2006).

Shuping Zhuo and Karl Sohlberg*, "Origin of stability of the high-temperature, low-pressure Rh 2O3 III form of rhodium sesquioxide," Journal of Solid State Chemistry, 179(7), 2126-2132 (2006).

Shuping Zhuo and Karl Sohlberg*, "Platinum dioxide phases: relative thermodynamic stability and kinetics of inter-conversion from first-principles," Physica B, 381, 12-19 (2006).

Shuhui Cai and Karl Sohlberg*, "Adsorption of 1-hexene on γ−alumina (110C)," J. Molec. Catal. A, 248(1-2), 76-83 (2006).

Karl Sohlberg*, "Introducing the core concepts of nano-science and nanotechnology: Two vignettes," J. Chem. Ed. 83, 1516 (2006).

Ari Silver, Hua Dong, Zhengfei Sun and Karl Sohlberg*, "Semiempirical Study of Low Molecular Weight Polymers of 3-phenyl-1-ureidonitrile," J. Molec. Struct. THEOCHEM, 731, 149-155 (2005).

Karl Sohlberg*, Sergey Rashkeev, Albina Y. Borisevich, Stephen J. Pennycook and Sokrates T. Pantelides, "Origin of anomalous Pt-Pt distances in the Pt/alumina catalytic system," ChemPhysChem. 5, 1893-1897 (2004).

Karl Sohlberg* and Natalie Vedova-Brook, "Excursions of the Fermi level from the HOMO-LUMO gap in finite systems," J. Comput. Theor. Nanosci. 1, 256-260 (2004).

Xiange Zheng and Karl Sohlberg*, "An Efficient Technique for the Modeling of Molecular Devices: Application to the Quaterthiophene-substituted Azobenzene Molecule," J. Comput. Theor. Nanosci. 1, 191-196 (2004).

Xiange Zheng, Natalie Carroll and Karl Sohlberg*, "Application of a lumped inertia technique to vibrational analysis of the torsional twisting modes of low molecular weight polyphenylenes and polyethynylphenylenes," J. Phys. Chem. A, 108, 2499 (2004).

Sanwu Wang, Albina Y. Borisevich*, Sergey N. Rashkeev, Michael V. Glazoff, Karl Sohlberg, Stephen J. Pennycook and Sokrates T. Pantelides, "Dopants Adsorbed as Single Atoms Prevent Degradation of Catalysts," Nature Materials, 3, 143-146 (2004).

Xiange Zheng and Karl Sohlberg*, "Modeling bistability and switching in a [2]catenane," Phys. Chem. Chem. Phys. 6, 809 - 815 (2004).

N. Vedova-Brook*, N. Matsunaga and K. Sohlberg, "Correlating substituent parameter values to electron transport properties of molecules," Chemical Physics 299, 89-95 (2004).

Karl Sohlberg* and Sergey N. Rashkeev, "Theoretical and Computational Atomic-Scale Studies of Complex Catalytic Materials," Handbook of Theoretical and Computational Nanotechnology, (in press).

Xiange Zheng and Karl Sohlberg*, "Computational analysis of switchable rotaxanes," Marcel Dekker Encyclopedia of Nanoscience and Nanotechnology, 807-821 (2004).

Xiange Zheng and Karl Sohlberg*, "Computational analysis of switchable catenanes," Marcel Dekker Encyclopedia of Nanoscience and Nanotechnology, 797 - 805 (2004).