Reaching Others University at Buffalo - The State University of New York
Skip to Content

Matthew D. Jones, PhD

Associate Director and Lead Computational Scientist

Dr. Jones has been with the Center for Computational Research since 1999.  He has a doctorate in Physics from the University of Illinois at Urbana-Champaign.

Areas of Support:

  • Condensed Matter/Statistical Physics
  • Ab-initio Quantum Chemistry Applications
  • Development, Profiling, and Optimization of Large Scale Scientific and Engineering Applications

Research Interests:

  • Quantum Monte Carlo Methods & Applications
  • Simulation of Complex Materials, using density functional theory and tight-binding methods
  • Large Scale Computational Science & High-Performance Computing

Recent Publications:

  1. J.-X. Zhu, R. Yu, H. Wang, L. L. Zhao, M. D. Jones, J. Dai, E. Abrahams, E. Morosan, M. Fang, and Q. Si,
    "Band Narrowing and Mott Localization in Iron Oxychalcogenides LaOFeO(Se,S)" , Phys. Rev. Lett. 104, 216405 (2010).
  2. M. D. Jones and R. C. Albers, "Spin-orbit coupling in an f-electron tight-binding model: Electronic properties of Th, U, and Pu" , Phys. Rev. B 79, 045107 (2009).
  3. Athanasios N. Chantis, R. C. Albers, M. D. Jones, Mark van Schilfgaarde, and Takao Kotani, "Many-body electronic structure of metallic α-uranium" , Phys. Rev. B 78, 081101 (2008).
  4. Jian-Xin Zhu, A. K. McMahan, M. D. Jones, T. Durakiewicz, J. J. Joyce, J. M. Wills, and R. C. Albers, "Spectral properties of delta-plutonium: Sensitivity to 5f Occupancy", Phys. Rev. B 76, 245118 (2007).
  5. I. Schnell, M. D. Jones, S. P. Rudin, and R. C. Albers, "Tight-Binding Calculations of the Elastic Constants and Phonons of hcp Zr: Complications Due to Anisotropic Stress and Long-Range Forces", Phys. Rev. B 74, 054104 (2006).
  6. D. R. Trinkle, M. D. Jones, R. G. Hennig, S. P. Rudin, R. C. Albers, and J. W. Wilkins, "An Empirical Tight-Binding Model for Titanium Phase Transformations", Phys. Rev. B 73, 094123 (2006).
  7. M. D. Jones, R. Yao, and C. P. Bhole, "Hybrid MPI-OpenMP Programming for Parallel OSEM PET Reconstruction", IEEE Trans. Nuc. Sci. 53, 2752 (2006).
  8. M. D. Jones, A. K. Patra, K. Dalbey, E. B. Pitman, and A. C. Bauer,"Adaptive Simulation: Dynamic Data Driven Application in Geophysical Mass Flows," Proceedings of the International Parallel and Distributed Processing Symposium (IPDPS2005, Denver, CO, 2005).
  9. S. P. Rudin, M. D. Jones, and R. C. Albers, "Thermal Stabilization of the HCP Phase in Titanium", Phys. Rev. B 69, 094117 (2004).
  10. J. Bouchet, R. C. Albers, M. D. Jones, and G. Jomard, "New Pseudo-Phase Structure for alpha-Pu", Phys. Rev. Lett. 92, 095503 (2004). Phys. Rev. Lett. 93, 199602 (2004).
  11. D. R. Trinkle, R. G. Hennig, S. G. Srinivasan, D. M. Hatch, M. D. Jones, H. T. Stokes, R. C. Albers, and J. W. Wilkins,
    "New Mechanism for the alpha to omega Martensitic Transformation in Pure Titanium", Phys. Rev. Lett. 91, 025701 (2003).
  12. M. D. Jones and R. C. Albers, "Block-diagonalization and f-electron Effects in Tight-binding Theory", Phys. Rev. B 66, 134105 (2002).
  13. S. P. Rudin, M. D. Jones, C. W. Greeff, and R. C. Albers, "First-principles-based thermodynamic description of solid copper using the tight-binding approach", Phys. Rev. B 65, 235114 (2002).
  14. M. D. Jones, J. C. Boettger, R. C. Albers, and D. J. Singh, "Theoretical Atomic Volumes of the Light Actinides", Phys. Rev. B 61, 4644 (2000).
  15. M. D. Jones, G. Ortiz, and D. M. Ceperley, "Spectrum of Neutral Helium in Strong Magnetic Fields", Phys. Rev. A 59, 2875 (1999).
  16. M. D. Jones, G. Ortiz, and D. M. Ceperley, "Indication of Singly Ionized Helium in the White Dwarf GD 229", Astron. Astrophys. 343, L91 (1999).
  17. J. C. Boettger, M. D. Jones, and R. C. Albers, "Structural Properties of Crystalline Uranium from Linear Combinations of
    Gaussian Type Orbitals Calculations", Int. J. Quant. Chem. 75, 911 (1999).
  18. G. Ortiz and M. D. Jones, "Exploring the Quantum World of Complex States," in Recent Progress in Many-Body Theories,
    Proceedings of the 9th International Conference, Sydney, Australia, edited by D. Neilsen and R. F. Bishop
    (World Scientific, Singapore, 1998), p. 144.
  19. M. D. Jones, G. Ortiz, and D. M. Ceperley, "Released-Phase Quantum Monte Carlo", Phys. Rev. E 55, 6202 (1997).
  20. M. D. Jones and G. Ortiz, "Many-Body Approaches to Atoms & Molecules in External Magnetic Fields", Int. J. Quant. Chem. 64 523 (1997).
  21. M. D. Jones, G. Ortiz, and D. M. Ceperley, "Hartree-Fock Studies of Atoms in Strong Magnetic Fields", Phys. Rev. A 54, 219 (1996).
  22. M. D. Jones and D. M. Ceperley, "Crystallization of the One-Component Plasma at Finite Temperature", Phys. Rev. Lett. 76, 4572 (1996).
  23. G. Ortiz, M. D. Jones, and D. M. Ceperley, "Ground State of the Hydrogen Molecule in Superstrong Magnetic Fields", Phys. Rev. A 52, 3405 (1995).
  24. M. D. Jones and G. Ortiz, "Small Atoms in Superstrong Magnetic Fields" in Proceedings of Physical Phenomena at High Magnetic Fields-II, Tallahassee, Florida, 1995, edited by Z. Fisk, L. Gor'kov, D. Meltzer, and R. Schrieffer (World Scientific, Singapore, 1996), p. 708.

Past Affiliations:

Condensed Matter & Statistical Physics
Theoretical Division, Group T-11
Los Alamos National Laboratory
Los Alamos NM 87545