Department of Chemistry

School of Natural Sciences and Mathematics

Steven Nielsen
Associate Professor
BE 2.516

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

Chiu, C.C.; Maher, M.C.; Dieckmann, G.R.; Nielsen, S.O. “Molecular dynamics study of a carbon nanotube binding reversible cyclic peptide”, ACS Nano (2010) 4: 2539-2546.

Ranatunga, R.J.K.U.; Kalescky, R.J.B.; Chiu, C.C.; Nielsen, S.O. “Molecular dynamics simulations of surfactant functionalized nanoparticles in the vicinity of an oil/water interface”, Journal of Physical Chemistry C (2010)114: 12151-12157.

Chiu, C.C.; Ranatunga, R.J.K.U.; Flores, D.T.; Pérez, D.V.; Moore, P.B.; Shinoda, W.; Nielsen, S.O. “A mean field approach for computing solid-liquid surface tension for nanoscale interfaces”, Journal of Chemical Physics (2010) 132: 054706.

Nielsen, S.O.; Bulo, R.E.; Moore, P.B.; Ensing, B. “Recent progress in adaptive multiscale molecular dynamics simulations of soft matter”, Physical Chemistry Chemical Physics (2010) 12: 12401-12414.

  • Updated: December 10, 2012
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