Normand Modine

Normand Modine

Scientist, Center for Integrated Nanotechnologies
Science Thrust: Theory and Simulation of Nanoscale Phenomena

Phone 505-844-8412
Fax 505-284-7778

P.O. Box 5800, MS 1315
Sandia National Laboratories
Albuquerque, NM 87185


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Education and Training

Undergraduate: Virginia Polytechnic Institute B. S., B. S., 1990
Graduate: Harvard Ph. D., 1996


Normand’s research interests include using computational techniques to understand energy transfer processes, interfaces and surfaces, and new methodologies for bridging length and time scales in nanostructured systems.  Within the general area of energy transfer processes, Normand is particularly interested in the processes by which electrons exchange energy with local vibrational modes both during heat conduction in nanoscale systems and during carrier capture by local electronic states.  Normand has considerable experience in calculating the structure and energetics of reconstructed surfaces, and he is applying this experience to study the interactions between nanoscale surface reconstruction domains and nanostructure on the surfaces of semiconductor alloys and heterostructures. Finally, Normand is interested in developing new approaches to bridging length and time scales with emphasis on extending quantum electronic structure techniques to address the key phenomena determining behavior at the nanoscale. Normand has recently helped develop multiscale models of the electronic and thermal behavior of nanostructured systems.  In addition, he is one of the principle developers of the Socorro electronic structure software, a full featured, open source, massively parallel code for performing Kohn-Sham Density Functional Theory (DFT) calculations. Recent additions to the capabilities of Socorro include the exact-exchange / optimized effective potential approach and time-dependent density functional theory calculations, and Normand is focused on understanding how these capabilities can be used to determine the essential parameters underlying multiscale models.

Selected Publications

  • J.E. Bickel, N.A. Modine, C. Pearson, and J.M. Millunchick, Elastically Induced Coexistence of Surface Reconstructions Phys Rev B 77, (2008).
  • J.C. Thomas, J.M. Millunchick, N.A. Modine, and A. Van Der Ven, Surface Atomic Order of Compound Iii-V Semiconductor Alloys at Finite Temperature, Phys Rev B 80, (2009).
  • J.E. Bickel, N.A. Modine, A. Van Der Ven, and J.M. Millunchick, Atomic Size Mismatch Strain Induced Surface Reconstructions Appl Phys Lett 92, (2008).
  • J.E. Bickel, N.A. Modine, and J.M. Millunchick, Determining the Gasb/Gaas-(2x8) Reconstruction, Surf Sci 603, 2945-2949 (2009).
  • R. M. Lippert, N. A. Modine, and A. .F. Wright, The optimized effective potential with finite temperature, Journal of Physics-Condensed Matter 18, 4295-4304 (2006).
  • R. E. Jones, J. A. Templeton, G. J. Wagner, D. Olmsted, N. A. Modine, Electron transport enhanced molecular dynamics for metals and semi-metals, Accepted for publication in the International Journal of Numerical Methods in Engineering (2010).

Selected User Projects

  • The Effect of Surface Reconstructions on Nanostructure Formation in Compound Semiconductors, J. Mirecki Millunchick and A. Van der Ven, University of Michigan.
  • Development of a Multi-Scale Paradigm for Modeling the Electronic Structure of Nanowires and Other Nanostructures, M. Stopa, Harvard.
  • Simulation of Heat Transfer in Field Emission Devices Generating Large Currents at Terahertz Frequencies, M.J. Hagmann, NewPath Research L.L.C.