Department of Chemistry

School of Natural Sciences and Mathematics

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Steven O. Nielsen, Ph.D.

Computational/theoretical physical chemistry

Research Group

Nielsen Research Group


B.S., Queens University (1996)
M.S., University of Toronto (1998): Chemistry
Ph.D., University of Toronto (2001): Chemistry
Advisor: Raymond E. Kapral
Postdoctoral Associate, University of Pennsylvania (2001–05)
Advisor: Michael L. Klein

Research Description

The overarching theme of my research is the theoretical description and molecular dynamics simulation of interfaces. My primary focus is on the curvature-dependent properties of interfaces. Major projects include the peptide solubilization of carbon nanotubes, the behavior of nanoparticles in fluids and at fluid Interfaces, and the free energy of phase transformations between different lipid self-assemblies. In addition, I develop new simulation tools including multiscale modeling algorithms.

Selected Publications

Christina M. Thompson, Gino Occhialini, Gregory T. McCandless, Sampath B. Alahakoon, Victoria Cameron, Steven O. Nielsen, and Ronald A. Smaldone Computational and experimental studies on the effects of monomer planarity on covalent organic framework formation Journal of the American Chemical Society 139 10506-10513 (2017).

Peiyuan Kang, Zhuo Chen, Steven O. Nielsen, Kenneth Hoyt, Sheena D'Arcy, Jeremiah J. Gassensmith, and Zhenpeng Qin Molecular hyperthermia: Spatiotemporal protein unfolding and inactivation by nanosecond plasmonic heating Small 1700841 (2017).

Blake A. Wilson, Lev D. Gelb, and Steven O. Nielsen Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems Journal of Chemical Physics 143 154108 (2015).

Massa J. Shoura, R. J. K. Udayana Ranatunga, Sarah A. Harris, Steven O. Nielsen, and Stephen D. Levene Contribution of fluorophore dynamics and solvation to resonant energy transfer in protein-DNA complexes: a molecular-dynamics study Biophysical Journal 107 700-710 (2014).

  • Updated: March 29, 2018
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