Dr. Laurent Dupuy (EOS & Materials Theory Alumnus)
Multiscale simulation of material behavior with an emphasis on plasticity. Molecular dynamics simulation of ductile fracture in metals. Development of multicale method including a mixed atomistic/continuum algorithm at finite temperature (Quasicontinuum).
Dr. Fred Fritsch
Computer Science for Equation of State (EOS) data libraries. Development and maintenance of interpolation algorithms in the LIP library.
Dr. Byeonqchan Lee (EOS & Materials Theory Alumnus)
Concurrent/hierarchical multiscale modeling; Characteristics of nanoscale structures; Surface energetics and kinetics of metallic materials.
Dr. Andy McMahan
Dynamical Mean Field Theory calculations of the properties of strongly correlated materials. Local-density predictions of the high pressure properties of solids, including phase transitions, as well the properties of novel energetic and cuprate materials. Tight-binding total energy representations.
Dr. John Moriarty
Theoretical condensed-matter and materials physics. Electronic structure, quantum-based interatomic potentials, and the atomistic simulation of materials properties. High-pressure physics, structural phase transitions, melting, and equation of state. Defects, mechanical properties, and multiscale materials modeling.
Dr. Francis Ree
Modeling denaturation of DNA, coagulation kinetics and stability of carbon clusters, liquid-liquid transition at high pressure, statistical mechanical theory of solid and liquid, thermodynamics of reactive mixtures such as plastics, foams, water, and high explosives,large-scale classical and quantum mechanical calculations, Raman frequencies of hydrocarbons under pressure.
Dr. Eira Seppälä (EOS & Materials Theory Alumnus)
Dynamic fracture and plasticity in metals. Atomistic molecular dynamics simulations of dislocations and void growth in metals under strain. Statistical physics of random systems: ground state structure, excitations, and domain walls in random Ising magnets, random elastic manifolds, percolation, and fracture in disordered systems. Exact optimization algorithms applied to random systems.
Dr. Meijie Tang (EOS & Materials Theory Alumnus)
Multiscale modeling of materials behavior; three dimensional dislocation dynamics simulation of crystal plasticity and dislocation microstructure evolution; linking length and time scales; crystalline defects and radiation damage; stress induced structural transition; solid state amorphization.
Dr. Mat van Thiel
Formulation of semiempirical equations of state of simple molecules and explosives. Shock wave measurements on hydrogen, inert gases, CO2, etc. Kinetics of atomic Cl recombination. Infrared spectroscopy of unstable molecules.
Dr. Nick Winter
Development and application of first principles electronic structure methods, spectroscopy of transition metal ions, magnetism of alloys, ligand exchange reactions, carbon nanoparticles, plasticity of molecular crystals.
Dr. David Young
Developing new theoretical EOS models; producing new EOS tables for LLNL and other users; and consulting on the development of EOS software.
Maintained by Randolph Q. Hood