Dennis Klug

Research Officer Theory and Computation Group, National Research Council of Canada

Postdoctoral Fellow National Research Council of Canada (1969-1971)
PhD University of Wisconsin-Madison (1969)
BSc University of Wisconsin-Milwaukee (1965)





Research interests:

  • Structures and properties of amorphous solids under extreme conditions – Theory and experiment
  • Density functional and related methods for describing phase transitions in dense solids and liquids
  • Structures and properties of dense water ice phases
  • Synchrotron x-ray, neutron scattering and optical techniques for structure studies of solids – Theory and experiment
  • Comparison of  density functional and neutral pseudo atom methods for phase transitions
  • Characterization of properties and phase transitions of clathrate hydrates  – Theory and experiment


Publications: 259 Publications; Selected publications listed below:

  • Theoretical Analysis of high-harmonic generation in solids. Vampa, C.R. McDonald, G. Orlando, D.D. Klug, P.B. Corkum, and T. Brabec. Phys. Rev. Lett. 113, 073901 (2014).


  • Strong field processes inside gallium arsenide. S.M. Golin, S.E. Kirkwood, D.D. Klug, D.M. Villeneuve, D.M. Rayner, C.A. Trallero Herrero, and P.B. Corkum. J. Phys. B: At. Mol. Opt. Phys. (2014).


  • The structure of CO2 hydrate between 0.7 and 1.0 GPa. A. Tulk, S. Machida, D. D. Klug, H. Lu, M. Guthrie, and J. J. Molaison. J. Chem. Phys. 141, 174503 (2014).


  • Stable Structures of He and H2O at High Pressures, H. Liu, Y. Yao, and Dennis Klug Describes state-of-the-art application of first-principles structure predictions. Physical Review B 91, 014102 (2015).


  • Two-Temperature Pair Potentials and Phonon spectra for Simple Metals in the Warm Dense Matter Regime, L. Harbour, M.W.C. Dharma-wardana, D.D. Klug, and L.J. Lewis. Contributions to Plasma Physics” Wiley, Vol. 55, 2-3/2015, page 144-151 (2015).


  • All-Optical Reconstruction of Crystal Band Structure. G. Vampa, T. J. Hammond, N. Thiré, B. E. Schmidt, F. Légaré, C. R. McDonald, T. Brabec, D. D. Klug, and P. B. Corkum, Phys. Rev. Lett. 115, 193603 (2015)


  • Prediction of a stable half-metal ferromagnetic BaCl Solid. Michael J. Greschner, Dennis D. Klug, and Yansun Yao. Phys. Rev. B 93, 094428 (2016)


  • Dense Carbon Monoxide to 160 GPa: Stepwise Polymerization to Two-Dimensional Layered Solid, Young-Jay Ryu, Minseob Kim, Jinhyuk Lim, Ranga Dias, Dennis D. Klug, and Choong-Shik Yoo Phys. Chem. C, 2016, 120 (48), pp 27548–27554


  • Pair Potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium, L. Harbour, M. W. C. Dharma-wardana, D. D. Klug, and L. J. Lewis, Phys. Rev. E 94, 053211 (2016)


  • Interlayer locking and atomic-scale friction in commensurate small-diameter boron nitride nanotubes, Homin Shin, Keun Su Kim, Benoit Simard, and Dennis D. Klug, Phys. Rev. B 95, 085406 (2017).


  • Integrating solids and gases for attosecond pulse generation. T. J. Hammond, Sylvain Monchocé, Chunmei Zhang, Giulio Vampa, Dennis Klug, A. Yu. Naumov, D.M. Villeneuve and P. B. Corkum. Nature Photonics, 11, 594–599 (2017).


  • Equation of state, phonons, and lattice stability of ultrafast warm dense matter. L. Harbour, M. W. C. Dharma-wardana, D. D. Klug, and L. J. Lewis. Physical Review E, 95, 043201 (2017).


  • Isochoric, isobaric and ultrafast conductivities of Al, Li and C in the warm dense matter regime. M. W. C. Dharma-wardana, D. D. Klug, L. Harbour and L. J. Lewis. Physical Review E, 96, 053206 (2017).


  • Ground state structure of high-energy-density polymeric carbon monoxide Kang Xia, Jian Sun, Chris J. Pickard, Dennis D. Klug, and Richard J. Needs Phys. Rev. B 95, 144102 (2017).


  • Using coherent phonons for ultrafast control of the Dirac mode of SrMnSb2  Chris P. Weber, Madison G. Masten, Thomas C. Ogloza, Bryan S. Berggren, Michael K. L. Man, Keshav M. Dani, Jinyu Liu, Zhiqiang Mao, Dennis D. Klug, Adebayo A. Adeleke, and Yansun Yao, Phys. Rev. B 98, 155115 (2018).


  • Absence of amorphous forms when ice is compressed at low temperature. Chris A. Tulk, Jamie J. Molaison, Adam Makhluf, Craig E. Manning & Dennis D. Klug Nature 569, 542 (2019).


  • Liquid-liquid phase transitions in silicon. M.W.C. Dharma-wardana, Dennis D. Klug, and Richard C. Remsing, Phys. Rev. Lett., 125, 075702 (2020).