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Karl Sohlberg, PhD

Karl Sohlberg, PhD

Associate Professor
Chemistry Graduate Advisor
Department of Chemistry
Office: Disque Hall 222
Phone: 215.895.2653
Fax: 215.895.6951

Additional Sites: Sohlberg Group Website


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

Research Interests:

  • Theoretical Chemistry
  • Computational Chemistry
  • Materials research
  • Mechanically Interlocked Macromolecular Complexes (MIMAs)
  • Surface Modeling


Karl Sohlberg is an Associate Prof. in the Dept. of Chemistry at Drexel University. His broad research area is theoretical and computational materials chemistry, with specific research programs in molecular nano-devices and complex catalytic materials. Before joining the Drexel faculty in 2000, he was an Oak Ridge Associated Universities postdoctoral fellow at Oak Ridge National Lab. Earlier, he held postdoctoral appointments at The Johns Hopkins University and Brigham Young University. He received his Ph.D. in physical chemistry from the University of Delaware under the direction of Krzysztof Szalewicz. At Drexel, he teaches courses in molecular modeling and quantum chemistry, and in mathematical and computer skills for chemists.

Selected Publications:

(*corresponding author)
  • Natalie M. Stuart and Karl Sohlberg*, “The microstructure of γ-alumina,” Energies, 14(20) 6472 (2021).
  • Karl Sohlberg* and Gloria Bazargan, “Signatures of quantum interference in the time-dependence of charge transfer in donor bridge acceptor molecules,” Journal of Computational Biophysics and Chemistry, 20(07), 741-749 (2021).
  • Karl Sohlberg*, “Thermodynamic and Kinetic Considerations Regarding the Prospects for a Dual-Purpose Hydrogen Extraction and Separation Membrane,” Energies, 14, 2136 (2021).
  • Karl Sohlberg* and Mike Foster, “What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance,” RSC Advances, 10, 36887 – 36896 (2020).
  • Karl Sohlberg*, “A dual-carrier adsorbate-modulated surface conductance model better captures the thermal dependence of conductance in TiO2 and MoO3 powders than an inter-grain hopping model,” Reac. Kinet. Mech. Cat. (2020).
  • Gloria Bazargan, Evan Curtin and Karl Sohlberg*, "Comparing Statistical Predictions of Quantum Particle Transit Times in Molecular Systems to Experimental Measurements," Journal of Theoretical and Computational Chemistry, 18(08), 1950039 (2019).
  • Bazargan, G, Sohlberg, K., “Influence of ring position on the temporal dependence of charge movement in a switchable [2]rotaxane,” Int J Quantum Chem., 2020; 120:e26078.
  • Janna Domenico, Alexis M. Schneider and Karl Sohlberg*, "From Benzene to Graphene: Exploring the Electronic Structure of Single- and Bilayer Graphene using Polycyclic Aromatic Hydrocarbons," Journal of Chemical Education., 96(10), 2225–2237 (2019).
  • Gloria Bazargan* and Karl Sohlberg, "Investigation of Net Unidirectional Ring Shuttling in a Chemically-Fueled [2]Catenane," Journal of Molecular Modeling, 24, 291 (2018).
  • Gloria Bazargan & Karl Sohlberg*, "Advances in modelling switchable mechanically interlocked molecular architectures," International Reviews in Physical Chemistry, 37(1), 1-82 (2018).
  • M. E. Foster*, K. Sohlberg, M. D. Allendorf, and A. A. Talin, "Unraveling the Semiconducting/Metallic Discrepancy in Ni3(HITP)2," J. Phys. Chem. Lett., 9(3), 481-486 (2018).
  • Sohlberg*, K., Bazargan, G., Angelo, J.P., and Lee, C., "Application of semiempirical electronic structure theory to compute the force generated by a single surface-mounted switchable rotaxane," Journal of Molecular Modeling, 23 (1), 29 (2017).
  • Michael E. Foster, Karl Sohlberg, Catalin Spataru and Mark D. Allendorf, "Proposed modification of the graphene analogue Ni3(HITP)2 to yield a semiconducting material," J. Phys. Chem. C, 120 (27), 15001–15008 (2016).
  • Xiang Liu and Karl Sohlberg, "Role of effective carrier mass in the photocatalytic efficiency of La-doped NaTaO3," Computational Materials Science, 123, 1–7 (2016).
  • Xiang Liu and Karl Sohlberg*, "The influence of oxygen vacancies and La doping on the surface structure of NaTaO3," Computational Materials Science, 103, 1–7 (2015).

Academic Details:

Graduate Program Faculty Member

*Only Graduate Program Faculty members can mentor graduate students