High Performance Computing & High End Visualization

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.

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

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

- N. A. Simakov, J. P. White, R. L. DeLeon, A. Ghadersohi, T. R. Furlani, M. D. Jones, S. M. Gallo, and A. K. Patra, "Application kernels: HPC resources performance monitoring and variance analysis," Concurrency and Computation: Practice and Experience
**27**, 5238 (2015). - J. T. Palmer, S. M. Gallo, T. R. Furlani, M. D. Jones, R. L. DeLeon, J. P. White, N. Simakov, A. K. Patra, J. Sperhac, T. Yearke, R. Rathsam, M. Innus, C. D. Cornelius, J. C. Browne, W. L. Barth, and R. T. Evans, "Open XDMoD: A tool for the comprehensive management of high-performance computing resources," Computing in Science and Engineering
**17**, 52 (2015). - R. Madankan, S. Pouget, P. Singla, M. Bursik, J. Dehn, M. Jones, A. Patra, M. Pavlonis, E. B. Pitman, and T. Singh, "Computation of probabilistic hazard maps and source parameter estimation for volcanic ash transport and dispersion," J. Comp. Phys.
**271**, 39 (2014). - E. R. Stefanescu, A. K. Patra, M. I. Bursik, R. Madankan, S. Pouget, M. Jones, P. Singla, T. Singh, E. B. Pitman, M. Pavolonis, D. Morton, P. Webley, and J. Dehn, "Temporal, probabilistic mapping of ash clouds using wind field stochastic variability and uncertain eruption source parameters: Example of the 14 April 2010 Eyjafjallajökull eruption," Journal of Advances in Modeling Earth Systems
**6**, 1173 (2014). - J. C. Browne, R. L. DeLeon, A. K. Patra, W. L. Barth, J. Hammond, M. D. Jones, T. R. Furlani, B. I. Schneider, S. M. Gallo, A. Ghadersohi, R. J. Gentner, J. T. Palmer, N. Simakov, M. Innus, A. E. Bruno, J. P. White, C. D. Cornelius, T. Yearke, K. Marcus, G. Laszewski, and F. Wang, "Comprehensive, open‐source resource usage measurement and analysis for HPC systems," Concurrency and Computation: Practice and Experience
**26**, 2191 (2014). - C.-C. J. Wang, M. D. Jones, and Jian-Xin Zhu, "Fermi surface topology and de Haas–van Alphen orbits in PuIn 3 and PuSn 3 compounds," Phys. Rev. B
**88**, 125106 (2013). - T. R. Furlani, M. D. Jones, S. M. Gallo, A. E. Bruno, C.‐D. Lu, A. Ghadersohi, R. J. Gentner, A. Patra, R. L. DeLeon, G. Laszewski, F. Wang, A. Zimmerman, "Performance metrics and auditing framework using application kernels for high‐performance computer systems," Concurrency and Computation: Practice and Experience
**25**, 918 (2013). - M. Bursik, M. Jones, S. Carn, K. Dean, A. Patra, M. Pavolonis, E. B. Pitman, T. Singh, P. Singla, P. Webley, H. Bjornsson, M. Ripepe, "Estimation and propagation of volcanic source parameter uncertainty in an ash transport and dispersal model: application to the Eyjafjallajokull plume of 14–16 April 2010," Bulletin of Volcanology
**10**, 2321 (2012). - E. R. Stefanescu, M. Bursik, G. Cordoba, K. Dalbey, M. D. Jones, A. K. Patra, D. C. Pieri, E. B. Pitman, M. F. Sheridan, "Digital elevation model uncertainty and hazard analysis using a geophysical flow model," Proc. Roy. Soc. A
**468**, 1543 (2012). - 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 La_{2}O_{2}Fe_{2}O(Se,S)_{2}" , Phys. Rev. Lett.**104**, 216405 (2010). - M. Bakhtiari, H. Malhotra, M. D. Jones, V. Chaudhary, J. P. Walters, and D. Nazareth, "Applying graphics processor units to Monte Carlo dose calculation in radiation therapy," J. Med. Phys.
**35**, 120 (2010). - D. P. Nazareth, S. Brunner, M. D. Jones, H. K. Malhotra, and M. Bakhtiari, "Optimization of beam angles for intensity modulated radiation therapy treatment planning using genetic algorithm on a distributed computing platform," J. Med. Phys.
**34**, 129 (2009). - M. Bakhtiari, M. Jones, H. Malhotra, M. Podgorsak, J. Delmerico, and D. Nazareth, "SU‐FF‐T‐173: A New Software for Beam Orientation Optimization in Radiation Therapy Using Genetic Algorithm," Med. Phys.
**36**, 2560 (2009). - 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). - 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). - 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). - 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). - 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). - 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). - 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). - S. P. Rudin, M. D. Jones, and R. C. Albers, "Thermal Stabilization of the HCP Phase in Titanium", Phys. Rev. B
**69**, 094117 (2004). - 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). - 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). - M. D. Jones and R. C. Albers, "Block-diagonalization and f-electron Effects in Tight-binding Theory", Phys. Rev. B
**66**, 134105 (2002). - 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). - 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). - M. D. Jones, G. Ortiz, and D. M. Ceperley, "Spectrum of Neutral Helium in Strong Magnetic Fields", Phys. Rev. A
**59**, 2875 (1999). - 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). - 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). - 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. - M. D. Jones, G. Ortiz, and D. M. Ceperley, "Released-Phase Quantum Monte Carlo", Phys. Rev. E
**55**, 6202 (1997). - M. D. Jones and G. Ortiz, "Many-Body Approaches to Atoms & Molecules in External Magnetic Fields", Int. J. Quant. Chem.
**64**523 (1997). - M. D. Jones, G. Ortiz, and D. M. Ceperley, "Hartree-Fock Studies of Atoms in Strong Magnetic Fields", Phys. Rev. A
**54**, 219 (1996). - M. D. Jones and D. M. Ceperley, "Crystallization of the One-Component Plasma at Finite Temperature", Phys. Rev. Lett.
**76**, 4572 (1996). - 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). - 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.

Condensed Matter & Statistical Physics

Theoretical Division, Group T-11

Los Alamos National Laboratory

Los Alamos NM 87545

__Contact Information__

**Address:**

UB Center for Computational Research

701 Ellicott Street

Buffalo, New York, 14203

**Office:**

B1-110

**Phone:**

(716) 881-8958

**Email Address:**

jonesm_at_buffalo.edu