CMSN Associates
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NAME: Yue Qi
TOP
PRESENT POSITION:
- Sr. Research Scientist
- Material Processes Lab
- General Motors R&D
-
- ,
- yue DOT qi AT gm DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Aluminium alloys
-
coatings
-
polymers
Phenomena
- surface, interface, grain boundaries sliding
-
phase separation
Methods
- DFT, MD, MC, FEM
-
Multiscale
NAME: Balasubramaniam ("Rad") Radhakrishman
TOP
PRESENT POSITION:
- Research Staff
- Computer Science and Math Division
- Oak Ridge National Laboratory
-
- Oak Ridge, TN 37831-6140
- zb9 AT ornl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Aluminum alloys, steels, Zircaloys, thermal barrier coatings
-
Nickel base superalloys, metallic thin films, ceramics
Phenomena
- Formation of deformation substructures
-
Static and dynamic recovery and recrystallization
-
Grain growth and coarsening
-
Phase Transformation
-
Texture and mechanical anisotropy
-
Mesoscale evolution of structures in metals and ceramics
Methods
- Monte Carlo
-
Finite Element applied to mesoscale deformation
NAME: Md. Jahidur Rahman
TOP
PRESENT POSITION:
- Graduate Student
- Materials Science and Engineering
- McMaster University
Hamilton, ON, Canada
-
- ,
- rahmanmj AT mcmaster DOT ca
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Pure Al
-
Al-Mg alloy
-
Pure Mg
Phenomena
- Phase transformation
-
Interatomic potential optimization and phase diagram determination (melting point, free energy, enthalpy of mixing calculation)
-
Solidification
-
Crystal-melt interface properties and their
-
anisotropies
-
Orientation dependence of dendritic growth
-
Atomic transport phenomena in solid and liquid
Methods
- FS potential
-
Monte Carlo Simulations
-
Classical Molecular Dynamics
-
NAME: Asit Rairkar
TOP
PRESENT POSITION:
- Grad student
- Physics & Astronomy
- Arizona State
-
- Tempe, AZ 85281
- asit AT asu DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Rampi Ramprasad
TOP
PRESENT POSITION:
- Assistant Professor
- Materials Science and Engineering
- University of Connecticut
-
- Storrs, CT 06269
- rampi AT ims DOT uconn DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Metal/oxide interfaces
-
Dielectric materials
-
Nano-composites
-
Metamaterials
-
Photonic & acoustic band gap materials
Phenomena
- Electronic conduction through insulators
-
Breakdown of insulators
-
Collective effects in nano-composites
-
Diffusion
-
Electromagnetic & acoustic wave propagation
Methods
- Density functional methods
-
Effective medium theory
-
Mesoscale & continuum methods
-
Multi-scale methods
-
Molecular dynamics
-
Kinetic lattice Monte Carlo methods
NAME: John J. Rehr
TOP
PRESENT POSITION:
- Professor
- Physics
- Unversity of Washington
-
- Seattle, WA 98195-1560
- jjr AT phys DOT washington DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- General aperiodic systems: complex solids, surfaces, alloys, catalysts, magnetic systems, biological materials, etc.
Phenomena
- X-ray spectroscopies: EXAFS, XANES, NEXAFS, AXS, DAFS, etc.
-
Electron spectroscopies: EELS, XPD, AES, etc.
-
Magnetic spectroscopies: XMCD, SPXAS, etc.
Methods
- Ab initio electronic structure/spectroscopy codes
-
Local, real space multiple-scattering (i.e., SCF all electron LDA Green's function) approach for large aperiodic systems
-
LDA-GW approach for excited electron states
-
MD/Equation of Motion methods for vibrational structure
NAME: Mark O. Robbins
TOP
PRESENT POSITION:
- Professor
- Physics
- Johns Hopkins University
-
- Baltimore, MD 21218-2695
- Mark DOT Robbins AT jhu DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Polymers
-
Colloids
-
Complex fluids
-
Surfaces
Phenomena
- Polymers near surfaces and interfaces
-
Friction and lubriction
-
Adhesion
-
Spreading and wetting
Methods
NAME: Anthony D. Rollett
TOP
PRESENT POSITION:
- Professor (Dept. Head)
- Materials Science & Engineering
- Carnegie Mellon University
-
- Pittsburgh, PA 15213-3890
- rollett AT andrew DOT cmu DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Structural Aluminum Alloys
-
Advanced Steels
-
Magnetic Materials
Phenomena
- Anisotropy
-
Texture
-
Plasticity
-
Grain Growth
-
Recrystallization
-
Strength
-
Magnetostriction
-
Magnetism
Methods
- Electron Microscopy
-
Stereological Analysis
-
Monte Carlo Simulation
-
Polycrystal Plasticity
-
Cellular Automata
-
Multiscale Statistical Analysis
NAME: D. Roy Mahapatra
TOP
PRESENT POSITION:
- Assistant Professor
- Department of Aerospace Engineering
- Indian Institute of Science
-
- ,
- droymahapatra AT aero DOT iisc DOT ernet DOT in
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Intermetallics,
-
Carbon, metal-
-
oxides, Nitrides,
-
piezoelectrics and
-
magnetostrictive
-
materials
-
Phenomena
- Phase
-
transformation,
-
glassy properties,
-
coupled effect on
-
electronic and
-
thermo-mechanical
-
properties of
-
nanostructures,
-
transport,
-
tunneling,
-
resonance and
-
switching properties
Methods
- Molecular Dynamics,
-
Tight binding
-
method, coupled
-
quantum-continuum
-
and non-local
-
theory, phase field
-
and finite element
-
based simulation of
-
phase
-
transformation and
-
growth process
NAME: Adrian Sabau
TOP
PRESENT POSITION:
- Research Staff Member
- Metals and Ceramics Division
- Oak Ridge National Laboratory
-
- Oak Ridge, TN 37831-6083
- sabaua AT ornl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Aluminum
-
Super alloys
-
Magnetic Materials
Phenomena
- multiphase fluid flow
-
interface kinetics
-
heat transfer
-
solidification phenomena
-
microporosity growth
-
hot deformation
Methods
- Developing novel solution algorithms for the numerical simulation of materials procesing problems that take into account the combined effect of fluid dynamics, interface kinetics, solidification, heat transfer, and hot deformation
NAME: Bhagawan Sahu
TOP
PRESENT POSITION:
- Research Scientist
- South-West Academy of Nano-electronics
- Microelectronics Research Center
-
- ,
- brsahu AT physics DOT utexas DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Graphene
-
Multi-ferroics
-
Group IV and III-V quantum dots
-
Mott insulators
Phenomena
- electronic transport
-
switching of order-parameters by conjugate external variables
-
spintronics
-
strongly correlated two-dimensional electron gas
Methods
- One-particle and many-particle correlated approaches, DMFT
-
time-depdendent density functional theory-electronic transport
-
Non-equilibrium DFT transport
-
Pseudo-potentials and all-electron electronic structure methods
NAME: Dilano K. Saldin
TOP
PRESENT POSITION:
- Professor
- Physics
- University of Wisconsin, Milwaukee
-
- Milwaukee, WI 53201
- dksaldin AT csd DOT uwm DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- All materials, including metals, semiconductors, insulators, and biological macromolecules such as proteins
Phenomena
- Atomic and molecular adsorption on surfaces
-
Surface reconstructions
-
Lattice defects in solids, including dislocations
-
Principles of experimental techniques such as LEED, XAFS, PED, AED, bulk and surface XRD, electron microscopy
-
Elastic and inelastic electron and photon interactions and propagation in solids
-
Holography
Methods
- Multiple scattering calculations for x-rays and high and low energy electrons
-
Electronic structure calculations
-
Maximum entropy method, genetic algorithms, and simulated annealing
NAME: Juan Sanchez
TOP
PRESENT POSITION:
- Professor
- Mechanical Engineering
- University of Texas at Austin
-
- Austin, TX 78712-0292
- jsanchez AT mail DOT utexas DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Apu Sarkar
TOP
PRESENT POSITION:
- KSKRA
- Mechanical Metallurgy
- Bhabha Atomic Research centre
-
- ,
- apusarkar AT gmail DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Nuclear structural
-
materials
Phenomena
- Radiation Damage,
-
High temperature
-
deformation, High
-
strain rate (shock
-
wave) deformation
Methods
- Molecular dynamics,
-
Quasicontinuum
-
method, Monte
-
carlo, Self
-
Consistent Crystal
-
plasticity
NAME: Sergey Savrasov
TOP
PRESENT POSITION:
- Associate Professor
- Department of Physics
- University of California
-
- ,
- savrasov AT physics DOT ucdavis DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Transition-Metal Oxides, Actinides, High-Tcs, Multiferroics
Phenomena
- Electronic, Structure, Spectroscopy, Optics, Energetics, Magnetism, Transport, Phonons, Spin Waves, Superconductivity
Methods
- Electronic Structure Theory, Density Functional Theory, Dynamical Mean-Field Theory, Linear Response Theory, Linear Muffin-Tin Orbital Theory
NAME: George Sawatzky
TOP
PRESENT POSITION:
- Professor
- Physics and Astronomy
- University of British Columbia
-
- ,
- sawatzky AT physics DOT ubc DOT ca
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Richard Scalettar
TOP
PRESENT POSITION:
- Professor
- Physics
- University of California, Davis
-
- ,
- scalettar AT physics DOT ucdavis DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Transition Metal Oxides, Cuprate Superconductors, Optically trapped atoms, Rare earths
Phenomena
- Magnetism, superconductivity, metal-insulator transitions
Methods
NAME: Patrick Schelling
TOP
PRESENT POSITION:
- Associate Professor
- Physics
- University of Central Florida
-
- ,
- pschell AT mail DOT ucf DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- semiconductors
-
oxides
-
nanowires
-
water
Phenomena
- thermal transport
-
phonon transport
-
catalysis
-
electrochemistry
Methods
- Density functional
-
theory
-
Molecular dynamics
-
Wave packet
-
simulation
NAME: Thomas C. Schulthess
TOP
PRESENT POSITION:
- Staff Researcher
- Computer Science and Mathematics
- Oak Ridge National Laboratory
-
- Oak Ridge, TN 37831-6114
- schulthesstc AT ornl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Transition metals and their alloys
-
Nano composits
Phenomena
- Magnetic properties
-
Magneto transport
-
Super Paramagnetism
Methods
- Multiple scattering theory
-
Cassical spin dynamics (Heisenberg model)
-
Micromagnetics
NAME: Klaus Schwarz
TOP
PRESENT POSITION:
- Research Staff Member
-
- IBM Watson Research Center
-
- Yorktown Heights, NY 10590
- schwarz AT watson DOT ibm DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Dislocations in semiconductor devices
-
Relaxation of strained Si/SiGe layers
-
Plasticity and cell patterning in metals
Phenomena
- Linear elastic modelling of dislocation dynamics
Methods
- Interfacing atomistic and mesoscopic scales
NAME: R. Panneer Selvam
TOP
PRESENT POSITION:
- Professor; Director, Computational Mechanics Lab
-
- University of Arkansas
-
- Fayetteville, AR 72701
- rps AT uark DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- opto-electronic materials
Phenomena
- mechanical and thermal management, devices
Methods
- computer modeling-multi physics and multiscale
NAME: William A. Shelton
TOP
PRESENT POSITION:
- Group Leader, Complex Dynamical Systems
- Computer Science and Mathematics
- Oak Ridge National Lab
-
- Oak Ridge, TN 97831-6367
- sheltonwajr AT ornl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Transition metal magnets: Bulk and multilayer
-
Bulk amorphous magnetic materials
-
Metal oxides
-
Metal nanoparticles on surfaces
-
Lightweight batteries
Phenomena
- Alloying phase stability
-
Concentration and displacement fluctuations
-
Magnetism, non-collinear magnetism, magneto-crystalline anisotropy, and temperature properties of magnets
-
Surface and interface phenomena
-
Microstructure evolution
-
Crack propagation
Methods
- Ab initio electronic structure based on DFT-LSDA
-
DFT multiple scattering based methods for both real space and k-space
-
Alloy theory: Coherent potential approximation
-
Ab initio pseudo-potential electronic structure methods: VASP
-
Noncollinear spin dynamics: Constrained DFT
-
Mesoscale/Continuum methods: Boundary integral, level set and fast multipole method
NAME: Eric Shirley
TOP
PRESENT POSITION:
- Staff Member
-
- NIST
-
- Gaithersburg, MD
- eric DOT shirley AT nist DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Andrij Shvaika
TOP
PRESENT POSITION:
- Senior Researcher
- Institute for Condensed Matter Physics
- National Academy of Sciences of Ukraine
-
- ,
- ashv AT icmp DOT lviv DOT ua
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Shameem Siddiqui
TOP
PRESENT POSITION:
- Assistant Professor
- Petroleum Engineering Department
- Texas Tech University
-
- ,
- shameem DOT siddiqui AT ttu DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Reservoir Rocks
-
Cores,Cuttings and Grains
-
Porous Materials
-
Reservoir Fluids
Phenomena
- Macro-Porosity and Micro-Porosity
-
Pore Body and Pore Throat
-
Porosity-Permeability Relationships
-
Flow Dynamics
-
Rock-Fluid Interactions
-
Relative Permeability
-
Capillary Pressure
-
Intefacial Tension
-
Reservoir Characterization
-
Productivity Enhancement
Methods
- X-Ray Computerized Tomograpy (CT)
-
Micro-CT/Nano-CT
-
3-D Image Processing
-
Visualization/Animation of Fluid Flow through Rocks
-
Reservoir-Condition Laboratory Tests
-
Numerical Reservoir Simulation
-
Statistical Data Analysis
NAME: Scott Sides
TOP
PRESENT POSITION:
- Research scientist
- Fusion/Materials group
- Tech-X Corporation
-
- ,
- swsides AT txcorp DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- * Block copolymers
-
* Liquid crystals
-
* Nanocomposites
Phenomena
- * Copolymer/polymer blend morphologies
-
* Confinement effects on complex fluid stucture
-
* Templating of inorganic nanoparticles with block copolymers
-
* Plasma processing: etching and sputtering effects
-
* Liquid-crystal/mesogenic polymer structure and optical properties
Methods
- * Self-consistent field theory methods
-
* Hybrid particle/SCFT algorithms
-
* Coarse-grained/Explicit-atom molecular dynamics of polymers
-
* Electromagnetic Particle-In-Cell simulations
NAME: Ellen Siem
TOP
PRESENT POSITION:
- Assistant Professor
- Department of Physics & Engineering
- Southern Oregon University
-
- ,
- sieme AT sou DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Materials for Energy Applications
-
Biomaterials
Phenomena
Methods
NAME: Joseph H. Simmons
TOP
PRESENT POSITION:
- Department Head & Professor
- Materials Science and Engineering
- University of Arizona
-
- ,
- simmons AT aml DOT arizona DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Ionic and covalent crystals and glasses
-
Nanostructured materials
Phenomena
- Transport processes, diffusion, fracture, viscoelasticity, optical properties
-
Interfaces
Methods
- Molecular dynamics
-
Monte Carlo and hybrids
-
DFT, ab-initio
NAME: Horst Simon
TOP
PRESENT POSITION:
- Associate Laboratory Director, Computing Sciences
Director, NERSC Center
Director, Computational Research division
-
- Lawrence Berkeley Laboratory
-
- ,
- HDSimon AT lbl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Nitin Singh
TOP
PRESENT POSITION:
- Industrial Researcher
- Design and Modeling
- Novelis Global Technology Centre
-
- ,
- nitin DOT singh AT novelis DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
- dynamic strain
-
aging / damage /
-
microstructural
-
evolution
Methods
NAME: Ashish Singh
TOP
PRESENT POSITION:
- Research Assistant
- Mechanical and Aerospace Engineering
- College of Engineering
-
- ,
- ash74u AT gmail DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
-
-
Characterization of
-
bulk metallic
-
glass
-
-
Phase kinetics of
-
amorphous materials
-
Phenomena
Methods
NAME: Aleksi Soininen
TOP
PRESENT POSITION:
-
- Department of Physical Sciences
- University of Helsinki
-
- ,
- aleksi DOT soininen AT helsinki DOT fi
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Adam Sorini
TOP
PRESENT POSITION:
- Postdoc
- Physics
- Stanford University
-
- ,
- asorini AT gmail DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Costas M. Soukoulis
TOP
PRESENT POSITION:
- Professor/Senior Scientist
- Physics
- Iowa State University/Ames Lab
-
- Ames, IA 50011
- soukoulis AT ameslab DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Amorphous semiconductors
-
Photonic crystals
-
Random dielectrics and random magnets
Phenomena
- Electronic, vibrational, and transport properties
-
Transmission and reflection
-
Localization of waves
-
Random lasers
Methods
- Simulations: Monte Carlo and molecular dynamics
-
Plan wave methods, transfer matrix, and finite difference time domain (FDTD)
-
Finite size scaling and coherent potential approximations
-
Tight binding parametrization
NAME: Douglas Spearot
TOP
PRESENT POSITION:
- Assistant Professor
- Department of Mechanical Engineering
- University of Arkansas
-
- ,
- dspearot AT uark DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Metallic (coarse-grained, fine-grained and nano-sized clusters); Intermetallics; Bi-material interfaces; Bulk metallic glasses; Carbon nanotubes
Phenomena
- Interface structure (coincident site lattice and structural unit model characterizations); Emission, absorption and transmission of dislocations; dislocation interactions with dopant or impurity atoms; disclinations
Methods
- Molecular dynamics; Molecular mechanics; Multiscale modeling
NAME: Edwin Spencer
TOP
PRESENT POSITION:
- Senior Project Engineer
- Consulting Services
- MSC Software
-
- ,
- edwin DOT spencer AT mscsoftware DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: David J. Srolovitz
TOP
PRESENT POSITION:
- Scientific Advisor to A*STAR Science and Engineering Research Council (SERC)
Scientific Director to Institute for High Performance Computing (IHPC)
-
- Institute for High Performance Computing, Singapore
-
- ,
- srol AT ihpc DOT a-star DOT edu DOT sg
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Metals, ceramics, semi-conductors
-
Thin-films
-
Ferroelectrics and piezoelectrics
Phenomena
- Film growth - evaporation, chemical vapor deposition, sputtering, ion beam assisted deposition
-
Microstructure evolution
-
Morphology evolution
-
Interfaces and surfaces - structure, thermodynamic properties
-
Defect kinetics - grain boundary mobility, diffusivities
-
Crystallographic texture and its evolution during film growth and materials processing
-
Interplay between mechanics and microstructure - piezoelectrics, ferroelectrics, fracture, morphology evolution
-
Materials processing
Methods
- Atomistic simulation - molecular dynamics, relaxation methods, statistical mechanics
-
Kinetic Monte Carlo - disparate time scales
-
Front tracking, level sets and related methods
-
Spin models
-
Discrete and continuum mechanics methods
NAME: Christopher Stanek
TOP
PRESENT POSITION:
- Technical Staff Member
- Material Science and Technology Division
- Los Alamos National Laboratory
-
- ,
- stanek AT lanl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Complex oxides
-
Rare earth compounds
-
Halides
-
Actinide bearing materials
Phenomena
- Point defect chemistry: solution mechanisms and diffusion
-
Role of defects on scintillator performance
-
Stoichiometry
Methods
- Atomistic simulation (pair potentials)
-
Monte Carlo/Metropolis techniques
-
Molecular Dynamics
-
Experimental validation/verification
NAME: Ellen Stechel
TOP
PRESENT POSITION:
- Manager, Fuels and Energy Transitions
-
- Sandia National Laboratories
-
- ,
- ebstech AT sandia DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Ordered and disordered ceramic alloys
-
Amorphous carbon
-
Ferroelectrics
-
Defects in semiconductors
-
Fractal aggregates and rough surfaces
Phenomena
- Ferroelectricity
-
Structure of amorphous materials
-
Phonon Spectra, EELS
-
Electromagnetic interactions in disordered media
Methods
- Ab initio electronic structure, DFT
-
Linear Response
-
Order-N methods for large scale first principles calculations:
-
Wannier-like Orbitals
-
Distorted Grids
-
Green's function techniques
NAME: Lev Steinberg
TOP
PRESENT POSITION:
- Professor
- Mathematics
- University of Puerto Rico
-
- Mayaguez, PR 00680-9018
- levst AT math DOT uprm DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
- Residual Stress, Acoustic Emission
Methods
- Strain Singularities Theory
NAME: Derek Stewart
TOP
PRESENT POSITION:
- Scientific Computation Research Associate
- Cornell Nanoscale Facility
- Cornell University
-
- ,
- stewart AT cnf DOT cornell DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- 1. magnetic materials and devices (tunnel junctions, multilayers, resonant tunneling devices)
-
2. Nanostructures (nanowires, nanotubes, molecular contacts)
-
3. Alloys
-
4. Non-magnetic systems with high magnetic susceptibility (i.e. Pd)
Phenomena
- 1. Electronic transport in magnetic systems and nanostructures including electron-photon interactions.
-
2. Phonon dispersion and thermal transport in nanostructures
-
3. Magnetism induced by structural changes
Methods
- 1. Non-equilibrium Green's functions approach for transport (I have implemented these into LMTO and tight-binding codes)
-
2. General electronic structure calculations: Layered KKR approach, plane wave tools (PWscf, Abinit)
-
3. Phonon dispersion calculations (PWscf)
NAME: G. Malcolm Stocks
TOP
PRESENT POSITION:
- Lockheed-Martin Coroporate Fellow
- Metals and Ceramics
- Oak Ridge National Laboratory
-
- Oak Ridge, TN 37831-6114
- gms AT ornl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Ordered and disordered metallic alloys
-
Transition metal magnets, bulk magnets and magnetic multilayers
-
Bulk amorphous alloys
-
Thin-film ferroelectrics
Phenomena
- Alloy ordering, alloy phase stability, displacement fluctuations in alloys
-
Magnetism, non-collinear magnetism, magneto-crystalline anisotropy, finite temperature and nonequilibrium properties of magnets, technical properties of magnets
-
Electron spectroscopies: soft X-ray, EELS, photoemission, etc.
-
Surface and interface structure of thin-film ferroelectrics
Methods
- Ab initio electronic structure, DFT-LSDA
-
Multiple scattering electronic structure methods: KKR, KKR-CPA
-
Order-N methods for large scale first principles calculations
-
Locally Self-consistent Multiple Scattering (LSMS) method
-
Ab initio pseudo-potential electronic structure methods: VASP
-
Spin dynamics
-
Constrained density functional theory for non-equilibrium magnetic states
NAME: Frederick H. Streitz
TOP
PRESENT POSITION:
-
- Physics
- Los Alamos
-
- ,
- streitz1 AT llnl DOT gov
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Metal/oxide interfaces
-
Ceramics (bulk and surface)
-
Metals (bulk and surface)
Phenomena
- Oxidation
-
Adhesion
-
Bulk properties
-
Defect interactions
Methods
- Semi-empirical potentials and their development
-
Molecular dynamics
-
Monte Carlo
-
Global optimization algorithms
NAME: Murilo Tiago
TOP
PRESENT POSITION:
-
- Institute for Computational Engineering and Sciences
- University of Texas, Austin
-
- Austin, TX
- mtiago AT ices DOT utexas DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Takami Tohyama
TOP
PRESENT POSITION:
- Assistant Professor
- Institute for Materials Research
- Yukawa Institute for Theoretical Physics
-
- ,
- tohyama AT yukawa DOT kyoto-u DOT ac DOT jp
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Samuel Trickey
TOP
PRESENT POSITION:
- Professor
- Physics
- University of Florida
-
- Gainseville, FL
- trickey AT qtp DOT ufl DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
Phenomena
Methods
NAME: Nandini Trivedi
TOP
PRESENT POSITION:
- Professor
- Department of Physics
- The Ohio State University
-
- ,
- trivedi AT mps DOT ohio-state DOT edu
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Dilute Magnetic Semiconductors; Oxides (including cuprates; titanates; vanadates; nickelates; mangantes); Organics
Phenomena
- Magnetism; Superconductivity; Disorder;
Methods
- Large scale quantum Monte Carlo simulations of many electron systems, including disorder effects.
NAME: John S. Tse
TOP
PRESENT POSITION:
- Professor
- Department of Physics and Engineering
- University of Saskatchewan
-
- ,
- John DOT Tse AT usask DOT ca
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- High Pressure Physics
-
Thermoelectric materials
Phenomena
Methods
- Ab initio Molecular Dynamics
-
Latice Dynamics
NAME: James Tulenko
TOP
PRESENT POSITION:
- Director, FLDANFM
- Nuclear and Radiological Enineering
- University of Florida
-
- ,
- jimtulenko AT mail DOT com
- Phone:
- Fax:
MAJOR RESEARCH INTERESTS:
Materials
- Nuclear Materials, Multi-scale First Principle description of Performance
Phenomena
- Processing and irradiation
Methods
- Molecular Dynamics (Static and Dynamic), Electron Theory, Kinetic Monte Carlo, Finite Element
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