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John Moriarty

  • PhD
  • Visiting Scientist (Retired) and Distinguished Member of the Technical Staff
  • Lawrence Livermore National Laboratory
  • 37h-indexImpact measure calculated using publication and citation counts. Updated daily.
  • 4712CitationsNumber of citations received by John's publications. Updated daily.

Research interests

Multiscale materials modelingDefects and mechanical propertiesMultiphase EOSHigh-pressure phase transitions and meltingQuantum mechanical interatomic potentials and atomistic simulationTheoretical condensed matter and materials physics

About

Development and application of quantum-based interatomic potentials (QBIPs) from first-principles DFT quantum mechanics for simple, transition and actinide metals, and their alloys, based on generalized pseudopotential theory (GPT). The project spans the entire QBIP process from foundation in fundamental theory, to the development of state-of- the-art GPT and model-GPT (MGPT) potentials for real materials, to application of the potentials to materials modeling and simulation, to access to potential data and computer codes via open-source computing resources such as LAMMPS. A book on this subject to be published by Oxford University Press is currently in preparation.

Co-authors (110)

  • Matous Mrovec
  • Francois Ducastelle

Publications (5)

  • High-pressure-high-temperature polymorphism in Ta: Resolving an ongoing experimental controversy

    • Burakovsky L
    • Chen S
    • Preston D
    • et al.
    N/AReaders
    54Citations
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  • Hierarchical petascale simulation framework for stress corrosion cracking

    • Vashishta P
    • Kalia R
    • Nakano A
    • et al.
    N/AReaders
    1Citations
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  • Hierarchical petascale simulation framework for stress corrosion cracking

    • Vashishta P
    • Kalia R
    • Nakano A
    • et al.
    N/AReaders
    1Citations
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  • Quantum-based atomistic simulation of transition metals

    • Moriarty J
    • Benedict L
    • Glosli J
    • et al.
    N/AReaders
    0Citations
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  • PLEIADES: A subpicosecond Thomson x-ray source for ultrafast materials probing

    • Fittinghoff D
    • Springer P
    • Barty C
    • et al.
    N/AReaders
    0Citations
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Professional experience

Visiting Scientist (Retired) and Distinguished Member of the Technical Staff

Lawrence Livermore National Laboratory

July 2014 - Present