Click on the name and you will go to the source. Click "TOP" and you will return here.

Peter Abbamonte -- University of Illinois at Urbana-Champaign

James B. Adams -- Arizona State University

Ken Ahn -- New Jersey Institute of Technology

Wael Al-Sawai -- Northeastern University

Sher Alam -- National Institute of Material Science

Ercan Alp -- Argonne National Laboratory

Anant M. P. Anantram -- University of Waterloo

Alexi Ankudinov -- University of Washington

Vladimir Antropov -- Iowa State University/Ames Laboratory

Yinon Ashkenazy -- Hebrew University of Jerusalem

Mark Asta -- University of California at Davis

Susan Atlas -- University of New Mexico

Paul Atzberger -- University of California Santa Barbara

Thirumalesh Bannuru -- Lehigh University

Arun Bansil -- Northeastern University

Bernardo Barbiellini -- Northeastern University

Susmita Basak -- Northeastern University

Corbett C. Battaile -- Sandia National Laboratories

James Belak -- Lawrence Livermore National Laboratory

Lorin Benedict --

Raouf Bennaceur -- Laboratoire de Physique de la Matiere Condensee Campus. le Belvedere

George F. Bertsch -- U of Washington

Estela Blaisten-Barojas -- College of Science, George Mason University

Bachir Bouhafs -- University of Sidi Bel Abbes

Sylke Boyd -- University of Minnesota-Morris

Gregory Brown -- Florida State University

Grant Bunker -- Illinois Institute of Technology

Kieron Burke -- Rutgers University

William H. Butler -- Oak Ridge National Laboratory

Andrew Canning -- Lawrence Berkeley National Lab

Roberto Car -- Princeton University

G Ceder -- Massachusetts Institute of Technology

James R. Chelikowsky -- University of Texas

Shao-Ping Chen -- Los Alamos National Laboratory

Hai-Ping Cheng -- University of Florida

Kyeongjae Cho -- Stanford University

Mei-Yin Chou -- Georgia Institute of Technology

Daryl C. Chrzan -- University of California, Berkeley/LBNL

Cristian Ciobanu -- Colorado School of Mines

Dennis Clougherty -- University of Vermont

L. Rene Corrales -- University of Arizona

E. Buddy Damm -- Timken Research

Bahman Daneshian -- Tarbiat Modares University, Tehran,Iran

Tanmoy Das -- Northeastern University

James Davenport -- Brookhaven National Laboratory

Tomas Diaz de la Rubia -- Lawrence Livermore National Laboratory

Christopher Delametter -- Kodak

Kris Delaney -- UCSB

Melik Demirel -- Penn State Univ.

Ram Devanathan -- PNNL

Tom Devereaux -- Standord University

Massimiliano Di Ventra -- UC-San Diego

Jianjun Dong -- Auburn University

Qiang Du -- Ecole Polytechnique Federale de Lausanne

Jincheng Du -- University of North Texas

Jinsong Duan -- University of Mississippi

Thom Dunning -- UIUC

Phillip Duxbury -- Michigan State University

NAME: Peter Abbamonte

TOP

PRESENT POSITION:

Assistant Professor

Physics

University of Illinois at Urbana-Champaign

,

abbamont AT illinois DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: James B. Adams

TOP

PRESENT POSITION:

Professor

Chemical, Bio and Materials Department

Arizona State University

Tempe, AZ 85287-6006

jim DOT adams AT asu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Metal/oxide interfaces
• Zeolites
• Metals (bulk and surface)
• Semiconductors

Phenomena

• Catalysis
• Adhesion
• Tribology
• Oxidation
• Diffusion
• Film growth

Methods

• Density functional methods
• Empirical potentials (and their development)
• Molecular dynamics
• Kinetic lattice Monte Carlo

NAME: Ken Ahn

TOP

PRESENT POSITION:

Assistant Professor

Physics

New Jersey Institute of Technology

,

kenahn AT njit DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Wael Al-Sawai

TOP

PRESENT POSITION:

Graduate Student

Physics

Northeastern University

,

al-sawai DOT w AT neu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Ladder Cuprates
• Bilayer Manganite
• Iron-Based S.C
• PbSe

Phenomena

• RIXS
• ARPES
• Compton Scattering

Methods

• Density Functional Theory

NAME: Sher Alam

TOP

PRESENT POSITION:

Researcher

Crystal Structure Analysis Group

National Institute of Material Science

,

iasher01 AT yahoo DOT ca

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Multi-Ferroics
• Cuprates
• Ruthanates
• CMR Materials and Magnetic Materials
• Silicides
• Thermoelectric Materials
• Catalysts

Phenomena

• Superconductivity
• Magnetism
• Ferroelectricity
• 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
• Heat Capacity Measurements
• Infrared Spectroscopy

NAME: Ercan Alp

TOP

PRESENT POSITION:

Managing Director of IXS-CDT

Advance Photon Source

Argonne National Laboratory

,

eea AT aps DOT anl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Anant M. P. Anantram

TOP

PRESENT POSITION:

Professor

Nanotechnology Program Electrical and Computer Engineering Department

University of Waterloo

,

anant AT uwaterloo DOT ca

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Silicon
• Carbon
• III-V
• Nanowire
• Nanotubes
• DNA

Phenomena

• Charge Transport in Devices
• Heat Transport

Methods

• Drift Diffusion and Quantum Mechanical Device Simulation
• Non Equilibrium Green's Functions
• Tight Binding
• Density Functional Theory

NAME: Alexi Ankudinov

TOP

PRESENT POSITION:

postdoc

Physics

University of Washington

Seattle, WA 98195-1560

alex AT phys DOT washington DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Vladimir Antropov

TOP

PRESENT POSITION:

Scientist

Department of Physics and Aastronomy

Iowa State University/Ames Laboratory

,

antropov AT ameslab DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Yinon Ashkenazy

TOP

PRESENT POSITION:

Research associate

Racah Institute of Physics

Hebrew University of Jerusalem

,

yinona AT cc DOT huji DOT ac DOT il

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• metals
• polymers

Phenomena

• growth
• deposition
• failure

Methods

• Molecular dynamics

NAME: Mark Asta

TOP

PRESENT POSITION:

Professor

Department of Chemical Engineering & Materials Science

University of California at Davis

,

mdasta AT ucdavis DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Ordered and disordered crystalline metallic alloys
• Liquid metallic alloys
• Thin-film metallic alloys

Phenomena

• Order-disorder and structural phase transformations
• Chemical short-range order in solids and liquids
• Diffusion and atomic transport properties in crystals and liquids

Methods

• Ab-initio electronic structure
• Lattice Monte Carlo
• Semiempirical-potential-based Monte Carlo and molecular dynamics
• Ab-initio molecular dynamics

NAME: Susan Atlas

TOP

PRESENT POSITION:

Research Associate Professor

Department of Physics and Astronomy

University of New Mexico

,

susie AT sapphire DOT phys DOT unm DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• metals/alloys
• nanoscale systems-- molecular motor proteins, nanoparticles, molecular electronics
• strongly-correlated electronic systems

Phenomena

• multiscale coupling (QM to atomistic)
• diffusion and properties of defects
• electronic/atomistic structure and properties of interfaces, surfaces, and grain boundaries
• charge polarization and charge transfer
• atom-in-molecule/atom-in-solid
• energy transduction (chemical to mechanical)

Methods

• first principles/ab initio electronic structure calculations with nonlocal exchange-correlation density functionals
• classical molecular dynamics simulation with dynamical charge-transfer EAM potentials
• genetic algorithms

NAME: Paul Atzberger

TOP

PRESENT POSITION:

Assistant Professor

Mathematics and Mechanical Engineering

University of California Santa Barbara

,

atzberg AT math DOT ucsb DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Soft condensed
• materials, complex
• fluids, lipid
• bilayer membranes,
• actin gels,
• microrheology,
• microfluidics.

Phenomena

• Dynamic response of
• soft condensed
• materials to shear,
• external fields, and
• temperature. Role
• of thermal
• fluctuations.

Methods

• Stochastic
• Eulerian-Lagrangian
• Methods, Spectral
• Methods, Immersed
• Boundary Methods,
• Multigrid, High
• Performance
• Scientific
• Computing.

NAME: Thirumalesh Bannuru

TOP

PRESENT POSITION:

student

Materials Science & Engineering

Lehigh University

Bethlehem, PA 18015

bannuru AT lehigh DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Discrete Dislocation simulations at Mesoscale.
• Dislocation-Grain boundary interactions.
• Nanoindentation of metallic thin films.

Phenomena

Methods

NAME: Arun Bansil

TOP

PRESENT POSITION:

Professor

Physics

Northeastern University

,

bansil AT neu DOT edu Arun DOT Bansil AT science DOT doe DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Bernardo Barbiellini

TOP

PRESENT POSITION:

Assistant Director and Senior Research Scientist ASCC

Physics

Northeastern University

,

bba AT neu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Various materials
• ranging from high
• temperature
• superconductors,
• colossal magneto-
• resistant
• manganites, ice and
• CdSe nano-
• particles

Phenomena

• inelastic X-ray
• scattering and
• positron
• annihilation in
• condensed matter.

Methods

• DFT, Stochastic
• Gradient
• Approximation (SGA)
• for Quantum Monte
• Carlo (QMC)

NAME: Susmita Basak

TOP

PRESENT POSITION:

Graduate Student

Physics

Northeastern University

,

susmita DOT basak AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• BiSCCO, LSCO

Phenomena

• Matrix element effects and self- energy effects
• related to different spectroscopies

Methods

• Mainly tight binding approach.

NAME: Corbett C. Battaile

TOP

PRESENT POSITION:

Senior Member of Technical Staff

Materials and Process Computation and Modeling

Sandia National Laboratories

Albuquerque, NM 87185-1411

ccbatta AT sandia DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Thin films and coatings
• Wide band gap semiconductors
• Structural materials

Phenomena

• Chemical vapor deposition
• Molecular beam epitaxy
• Atmospheric corrosion of oxidizing galvanic systems
• Grain boundary properties and migration in deformed materials

Methods

• Kinetic Monte Carlo
• Atomistic free energy minimization
• Finite elements

NAME: James Belak

TOP

PRESENT POSITION:

Physicist

Condensed Matter Physics Division

Lawrence Livermore National Laboratory

,

belak AT llnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Mostly Metals and Alloys

Phenomena

• Kinetics of Phase Transformations
• Mechanical Behavior of Metals
• Tribology
• In situ x-ray scattering
• Shock Wave and High Strain Rate Loading

Methods

• Molecular Dynamics
• Monte Carlo
• Phase-Field (time-dependent Ginzburg-Landau)
• Gas gun impact
• X-ray scattering

NAME: Lorin Benedict

TOP

PRESENT POSITION:

,

benedict5 AT llnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Raouf Bennaceur

TOP

PRESENT POSITION:

Director of the Laboratoire de Physique de la Matiere Condensee

Faculte des Sciences de Tunis

Laboratoire de Physique de la Matiere Condensee Campus. le Belvedere

Tunis, 1060

bennaceur DOT raouf AT inrst DOT rnrt DOT tn

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Hi-Tc supraconductors
• III-V compounds - IN2S3, In6S7, CuInS2

Phenomena

• Supraconductivity
• Correlation and many body phenomena
• Polaritons in confined media

Methods

• LMTO and GW calculations
• T matrix calculations

NAME: George F. Bertsch

TOP

PRESENT POSITION:

Professor

Physics

U of Washington

Seattle, WA 98195-1560

bertsch AT phys DOT washington DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Molecules, clusters

Phenomena

• electronic excitations, nanoscale electronic systems

Methods

• TDDFT

NAME: Estela Blaisten-Barojas

TOP

PRESENT POSITION:

Professor and Director

Computational Materials Science Center

College of Science, George Mason University

,

blaisten AT gmu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Atomic and molecular clusters: metals, semiconductors
• Conducting polymers
• Nanostructures: nanoparticles nanotubes, nanowires, nanoribbons

Phenomena

• Structure, phase transitions, melting, quantum dots, thermal transport, elastic deformations.

Methods

• molecular dynamics, simulated annealing, monte carlo, multi-canonical methods, simulated tempering, density functional, ab-initio methods
• Large scale computer simulation of condensed matter systems

NAME: Bachir Bouhafs

TOP

PRESENT POSITION:

Professor; Ph.D., and Head of the Modeling and Simulation in Materials Science Laboratory

Physics

University of Sidi Bel Abbes

,

bbouhafs AT ictp DOT it

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Magnetic materials,
• compounds and
• alloys; Rare-earth
• transition metal
• compounds; Transition metals
• Nitrides; Noble metals
• Nitrides

Phenomena

• Phase stability;
• Mechanical,
• electronic,
• magnetic, and
• optical properties;
• phonon

Methods

• Ab initio
• electronic
• structure methods
• using DFT;
• Semi-empirical
• pseudopotential and
• tight binding methods.

NAME: Sylke Boyd

TOP

PRESENT POSITION:

Assistant Professor

Division of Science and Mathematics

University of Minnesota-Morris

,

sboyd AT morris DOT umn DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• energetic materials, in particular RDX and HMX
• silicon
• carbon
• polymers

Phenomena

• properties of point defects in solids
• disocations, interfaces

Methods

• molecular dynamics and Monte Carlo methods
• classical forcefields
• forcefield development
• parallel code development

NAME: Gregory Brown

TOP

PRESENT POSITION:

Postdoctoral Researcher

Florida State University

Tallahassee, FL 32306-4120

browngrg AT csit DOT fsu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Nanoscal magnets
• Electrochemical absorption layers
• Binary mixtures

Phenomena

• Magnetization reversal
• Underpotential deposition
• Phase ordering
• Phsae separation

Methods

• Numerical integration of stochastic differential equations

NAME: Grant Bunker

TOP

PRESENT POSITION:

Professor of Physics

BCPS

Illinois Institute of Technology

,

bunker AT iit DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

• XAFS
• synchrotron radiation research
• computational physics/chemisty/biophysics

NAME: Kieron Burke

TOP

PRESENT POSITION:

Assoc. Prof.

Chemistry and Chemical Biology

Rutgers University

,

kieron AT dft DOT rutgers DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Atoms
• Molecules
• Solids

Phenomena

• All ground-state properties
• Excited states
• Strong laser fields
• transport
• scattering
• X-ray absorption

Methods

• Density functional theory
• Time-dependent density functional theory

NAME: William H. Butler

TOP

PRESENT POSITION:

Group Leader, Theory Group

Metals and Ceramics Division

Oak Ridge National Laboratory

Oak Ridge, TN 37831-6114

wbutler AT mint DOT ua DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Transition metal magnets, bulk magnets, and magnetic multilayers.
• Magnetic semiconductors.

Phenomena

• Giant magnetoresistance
• Spin-dependent tunneling
• Deposition and structure of deposited films
• Magnetic structure of ordered and disordered interfaces
• Magnetic anisotropy

Methods

• Multiple scattering electronic structure methods: KKR, KKR-CPA
• Order-N methods for large scale first principles calculations: Layer KKR, LSMS
• Ab initio pseudo-potential electronic structure methods: VASP.
• Spin dynamics.
• Constrained density functional theory for non-equilibrium magnetic states

NAME: Andrew Canning

TOP

PRESENT POSITION:

Physicist

National Energy Research Scientific Computing Center

Lawrence Berkeley National Lab

Berkeley, CA

canning AT nersc DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Fullerenes
• Hard materials
• Disordered magnets

Phenomena

• Electronic properties
• Surface growth

Methods

• Density functional calculations (LDA, PW, FLAPW)
• Tight binding
• Order-N methods

NAME: Roberto Car

TOP

PRESENT POSITION:

Professor

Chemistry

Princeton University

Princeton, NJ 08544

rcar AT princeton DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: G Ceder

TOP

PRESENT POSITION:

Associate Professor

Department of Materials Science and Engineering

Massachusetts Institute of Technology

Cambridge, MA 02139

gceder AT mit DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Multi-component oxides, electronic ceramics
• Orderedd and disordered metallic alloys
• Intercalation systems

Phenomena

• Thermodynamics
• Solid state electrochemistry
• Electron correlation and entropy, Jahn Teller distortions, coupling with magnetism
• Ionic diffusion and phase transitions
• Order/disorder reactions
• Dielectric absorption
• Anharmonic vibrations

Methods

• First-principles methods: LDA and GGA
• Ultrasoft pseudopotential method (VASP)
• Monte Carlo simulation
• Methods for structure prediction
• Linear Programming

NAME: James R. Chelikowsky

TOP

PRESENT POSITION:

Professor

Departments of Chemistry, Physics, Chemical Engineering, and Materials Science

University of Texas

Austin, TX 78712

jrc AT ices DOT utexas DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Semiconductors: quantum dots, surfaces, defects, clusters and liquids
• Oxides: memory glasses, amorphous solids, defects, dielectrics

Phenomena

• Optical and dielectric response functions
• Pressure induced amorphization
• Quantum confinement
• Thermodynamic properties
• Liquid state properties
• Surfaces, defects, and interfaces
• Mechanical properties

Methods

• High performance algorithms: parallel computing
• Real space methods for localized systems
• Ab initio and classical molecular dynamics
• Time dependent local density response functions
• Pseudopotentials and density functional methods

NAME: Shao-Ping Chen

TOP

PRESENT POSITION:

Technical Staff Member

Theoretical Division

Los Alamos National Laboratory

Los Alamos, NM 87545

sc AT lanl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Bulk and defect properties of metals, semiconductors, oxides

Phenomena

• Mechanical, thermal, electrical, optical properties of bulk and defects

Methods

• Abinitio, atomistic,mesoscale, MD, MC

NAME: Hai-Ping Cheng

TOP

PRESENT POSITION:

Professor

Physics

University of Florida

,

cheng AT qtp DOT ufl DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• molecular/nano-junctions,
• nano-crystals, grain
• boundaries, complex
• surfaces and
• interfaces(metal,
• organic,
• semiconductor)
• water

Phenomena

• Electron/spin
• transport ,
• electronic and
• magnetic structure,
• hydrolytical
• weakenings,

Methods

• DFT, NEGRF, MD
• QMC

NAME: Kyeongjae Cho

TOP

PRESENT POSITION:

Assistant Professor

Mechanics and Computational Division, Department of Mechanical Engineering

Stanford University

Palo Alto, CA

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• carbon nanotubes
• electonic materials
• high-k dielectrices
• biomolecules
• BCC metals

Phenomena

• chemical reactivity
• electronic structures and transport
• point defects
• dislocations
• thermoelasticity of nanostructures
• surface chemical reactoins
• interface defects

Methods

• Pseudopotential DFT
• tight binding
• interatomic potentials
• acceleraed molecular dynamics
• kinetic Monte CArlo

NAME: Mei-Yin Chou

TOP

PRESENT POSITION:

Professor

Physics

Georgia Institute of Technology

,

meiyin DOT chou AT physics DOT gatech DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Daryl C. Chrzan

TOP

PRESENT POSITION:

Assistant Professor/Faculty Staff Scientist

Department of Materials Science and Mineral Engineering/Division of Materials

University of California, Berkeley/LBNL

Berkeley, CA

dcchrzan AT berkeley DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Intermetallics
• Simple metals (e.g., Al)
• Hard Materials (e.g., diamond)

Phenomena

• Mechanical properties
• Dislocation pattern formation
• Dislocation dynamics
• Dislocation core structure
• Nucleation and growth of thin metallic films

Methods

• Kinetic Monte Carlo simulation of dislocation dynamics
• Continuum simulation of dislocation dynamics
• Kinetic Monte Carlo simulation of thin film growth
• Applications of empirical and first principles atomic scale techniques

NAME: Cristian Ciobanu

TOP

PRESENT POSITION:

Associate Professor

Engineering

Colorado School of Mines

,

cciobanu AT mines DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Dennis Clougherty

TOP

PRESENT POSITION:

Professor

Physics

University of Vermont

Burlington, VT 05405-0125

Dennis DOT Clougherty AT uvm DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• transition metal oxides
• fullerene-based materials
• carbon nanotubes
• organic semiconductors

Phenomena

• Jahn-Teller-related effects in molecules, clusters and solids

Methods

• density functional theory- multiple scattered wave method, ADF, layer KKR
• time-dependent DFT
• perturbative and numerical analysis of model Hamiltonians

NAME: L. Rene Corrales

TOP

PRESENT POSITION:

Associate Professor

Materials Science and Engineering; and Chemistry

University of Arizona

,

lrcorral AT email DOT arizona DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Computer simulation of interfacial structure, materials response to irradiation, and multi-scale modeling.

Phenomena

• Self-trapping of excited states, defect evolution

Methods

• Electronic structure, numerical statistical mechanics methods

NAME: E. Buddy Damm

TOP

PRESENT POSITION:

Principal Materials Engineer

Materials R&D

Timken Research

,

e DOT buddy DOT damm AT timken DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Medium alloy and high strength steels
• Structural composites

Phenomena

• Transformation thermodynamics and kinetics
• Grain size evolution (recyrstallization, grain growth)
• High temperature plasticity and fracture behavior

Methods

• Internal State Variables
• Phase Field Models
• ThermoCalc/Dictra
• Fortran
• Optimization tools and DFSS tools

NAME: Bahman Daneshian

TOP

PRESENT POSITION:

PhD student

Materials Science and Engineering

Tarbiat Modares University, Tehran,Iran

,

bahmanpbamp AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

• aerosol deposition
• mechanism

Methods

• molecular dynamics
• technique

NAME: Tanmoy Das

TOP

PRESENT POSITION:

PhD student

Physics

Northeastern University

,

tnmydas AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Cuprates,
• Pnictides and other
• strongly correlated
• Materials

Phenomena

• Electronic
• structure, magnetic
• and superconducting
• phase and strong
• correlations effects
• etc

Methods

• LDA, Tight
• binding
• approximation,
• Hubbard model,
• GW-formalism, exact
• diagonalisation

NAME: James Davenport

TOP

PRESENT POSITION:

Chair

Department of Applied Science

Brookhaven National Laboratory

Upton, NY 11973

jdaven AT bnl DOT gov James DOT Davenport AT science DOT doe DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Oxides, aluminum alloys, transition metal alloiys, and compounds, clusters.

Phenomena

• Magnetism, optical response, strongly correlated electron systems.

Methods

• First principles LDA, abinitio and semiempirical cluster calculations.

NAME: Tomas Diaz de la Rubia

TOP

PRESENT POSITION:

Scientific Capabilites Leader for Computational Materials Science

Materials Science and Technology Division

Lawrence Livermore National Laboratory

Livermore, CA 94550

delarubia AT llnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Bcc metals
• Silicon
• Ceramic oxides
• Actinides

Phenomena

• Dislocation properties, mechanisms and plasticity in bcc single crystals
• Non equilibrium nucleation and growth of extended defects and precipitates
• Diffusion and properties of defects and dopants in semiconductors
• Amorphization of semiconductors and ceramics and the properties of amorphous-crystal interfaces
• Aging of metals in irradiation environments
• Laser-surface interactions, ablation
• Sputter and ion assisted thin film deposition and growth

Methods

• Three dimensional dislocation dynamics
• Ab initio electronic structure methods
• Tight binding approaches
• Molecular dynamics with classical interatomic potentials
• Kinetic Monte Carlo methods
• Coupling of MD and Monte Carlo methods for long time scale simulations

NAME: Christopher Delametter

TOP

PRESENT POSITION:

Senior Research Analyst

Kodak

Rochester, NY 14650

christopher DOT delametter AT kodak DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

• Modeling of Material Behavior

Methods

NAME: Kris Delaney

TOP

PRESENT POSITION:

Physics

UCSB

,

kdelaney AT mrl DOT ucsb DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Melik Demirel

TOP

PRESENT POSITION:

Professor

Engineering Science and Math

Penn State Univ.

University Park, PA 16802

mcd18 AT psu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Crystalline Materials
• Polymers

Phenomena

• Grain Growth and Microstructure evolution
• Deformation Mechanism in single and polycrystalline materials
• Equilibrium and non-equilibrium mechanics of soft-matter systems

Methods

• Electron Microscopy
• Three Dimensional Grain Growth
• Simulations Molecular Modelling

NAME: Ram Devanathan

TOP

PRESENT POSITION:

Senior Research Scientist

Fundamental Science Directorate, PNNL

PNNL

,

ram DOT devanathan AT pnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Oxides, silicates, silicon carbide, polymer membranes

Phenomena

• Ion-solid interactions, defect creation and evolution, radiation effects, proton and small molecule transport in fuel cell membranes,
• surface and interfacial phenomena, and defects in nanomaterials

Methods

• molecular dynamics, kinetic Monte Carlo and multiscale modeling

NAME: Tom Devereaux

TOP

PRESENT POSITION:

Professor

Physics

Standord University

,

tpd AT stanford DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Massimiliano Di Ventra

TOP

PRESENT POSITION:

Associate Professor

Physics

UC-San Diego

La Jolla, CA 92093-0319

diventra AT physics DOT ucsd DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Semiconductors, metals, organics, biological systems.

Phenomena

• Electronic excitations, steady-state and frequency-dependent
• transport.

Methods

• Static and Time-Dependent(-Current) DFT

NAME: Jianjun Dong

TOP

PRESENT POSITION:

Associate Professor

Physics Department

Auburn University

,

jjdong AT physics DOT auburn DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Semiconductors, ceramics, and polymer-based composites

Phenomena

• lattice dynamics, thermal transport

Methods

• first-principles density functional theory
• tight-binding method
• molecular dynamics simulation

NAME: Qiang Du

TOP

PRESENT POSITION:

Research Assistant

Laboratory for the Simulation of Materials

Ecole Polytechnique Federale de Lausanne

Lausanne,

duqiang57 AT hotmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Aluminum and Steel

Phenomena

• Heat transfer, natural convection, phase transformation

Methods

• FEM, FDM, Cellular Automaton, Pseduo-Front Tracking

NAME: Jincheng Du

TOP

PRESENT POSITION:

Assistant Professor

Department of Material Science and Engineering

University of North Texas

,

du AT unt DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Oxide glass and ceramics
• nano structured materials

Phenomena

• Structure of glass and amorphous materials
• Atomic and electronic defects
• Surface and interface phenomenon
• Heterogeneous catalysis

Methods

• Classical molecular dynamics
• Density functional theory
• Kinetic Monte Carlo

NAME: Jinsong Duan

TOP

PRESENT POSITION:

Post-doctoral

Medicinal Chemistry

University of Mississippi

,

chemcpu AT yahoo DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Biomaterials, protein

Phenomena

• drug delivery, protein-ligand interaction

Methods

• QM/MM

NAME: Thom Dunning

TOP

PRESENT POSITION:

Director

National Center for Supercomputing Applications

UIUC

Champaign, IL 61820

thdjr AT uiuc DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Molecules
• Wide range of "small" molecules

Phenomena

• Thermochemistry
• Reaction energetics
• Proton & electron affinities
• Wide range of other molecular properties

Methods

• Multireference self-consistent field (GVB, CAS, etc.) methods
• Multireference configuration interaction methods
• Perturbation theory methods
• Coupled cluster methods

NAME: Phillip Duxbury

TOP

PRESENT POSITION:

Professor and Associate Chair for Grad. Studies

Michigan State University

East Lansing, MI 48824

Duxbury AT pa DOT msu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Clay-polymer nanocomposites
• Simple metal and semiconductor surfaces
• Random magnets
• Rough surfaces
• Polycrystalline and interfacial materials

Phenomena

• Magnetic domain structures/active clusters.
• Step fluctuations and annealing of nanostructures.
• Connectivity and rigidity percolation.
• Effective properties of complex materials.
• Anomalous scaling due to rare fluctuations.

Methods

• Algorithms for damage evolution.
• Optimization algorithms applied to disordered systems.
• Shortest path, flow and matching algorithms.
• Scaling theory, rare fluctuations and extreme statistics.