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

Sadamichi Maekawa -- Tohoku University

Christian Mailhiot -- LLNL and University of California at Davis

Gary J. Mankey -- University of Alabama

Robert Markiewicz -- Northeastern University

Richard M. Martin -- University of Illinois, Urbana-Champaign

Nicola Marzari -- MIT

Vladimir Matic -- Vinca Institute

C. William McCurdy -- LBNL, UC-Davis, Berkeley

Andy McMahan -- Lawrence Livermore National Laboratory

Robert D. McMichael -- NIST

Ali Md. Ehesan -- Indian Institute of Technology-Bombay

Roderick Melnik -- Wilfrid Laurier University

Bryce Meredig -- Northwestern University

Paul Millett -- Idaho National Laboratory

Eric Mockensturm -- Penn State University

Joshua Monk -- Ames Labs

Juana Moreno -- Louisiana State University

Brian Moritz -- SLAC National Accelerator Laboratory and the Stanford Institute for Materials and Energy Science

James R. Morris -- Oak Ridge National Laboratory

Eduardo Mucciolo -- University of Central Florida

Katharine Mullen -- National Institute of Standards and Technology

Rick Muller -- Sandia National Laboratories

Artem Oganov -- Stony Brook University

Julius Ojwang -- Carnegie Institution of Washington

Yury Osetskiy -- Oak Ridge National Laboratory

Rahmi Ozisik -- Rensselaer Polytechnic Institute

Kuhu Pal (nee Dutta) -- Institute of Engineering and Management

Amit Pandey -- Mech. Eng.

Sumeet Pandey -- UMass-Amherst

Sokrates T. Pantelides -- Vanderbilt University

Melissa Pasquinelli -- North Carolina State University

Durga Paudyal -- Ames Laboratory

Simon Phillpot -- University of Florida

Warren E. Pickett -- University of California at Davis

Liudmila Pozhar -- University of Idaho

NAME: Sadamichi Maekawa

TOP

PRESENT POSITION:

Professor

Institute for Materials Research

Tohoku University

,

maekawa AT imr DOT tohoku DOT ac DOT jp

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Christian Mailhiot

TOP

PRESENT POSITION:

Division Leader, Condensed Matter, Research Physicist, UC-Davis

Physics

LLNL and University of California at Davis

Livermore, CA 94551

mailhiot1 AT llnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Metals
• Semiconductors (superlattices)
• Molecular systems

Phenomena

• Pressure-induced phase transformations
• Thermal properties
• Mechanical properties
• "Warm" matter properties
• Electronic structure theory and optical properties of semiconductor superlattices
• Surface and interface phenomena
• Microstructure evolution

Methods

• Ab initio electronic structure, DFT, quantum Monte Carlo, etc.
• Linear Response
• Order-N methods for large scale first-principles calculations

NAME: Gary J. Mankey

TOP

PRESENT POSITION:

Professor

MINT Center

University of Alabama

Tuscaloosa, AL 35487-0209

gmankey AT mint DOT ua DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Magnetic nanostructures

Phenomena

• Exchange-bias
• Magnetotransport
• Size effects in nanostructured magnetic materials

Methods

• experimental-nanostrucure fabricatoin and characterization

NAME: Robert Markiewicz

TOP

PRESENT POSITION:

Professor

Physics

Northeastern University

,

markiewic AT neu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• cuprates
• manganites
• nickelates
• pnictides

Phenomena

• all

Methods

• intermediate
• coupling theory of
• spectroscopies

NAME: Richard M. Martin

TOP

PRESENT POSITION:

Professor

Physics

University of Illinois, Urbana-Champaign

Urbana, IL 61801

rmartin AT uiuc DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Semiconductor bulk, surface, and quantum structures
• Electron systems formed in semiconductors' quantum structures
• Amorphous materials and liquids
• Ferroelectrics
• Transition metal oxides
• Molecules
• Nanoclusters
• Hydrogen at high pressures

Phenomena

• Structure of materials
• Phase transitions under pressure
• Polarization (effective charges, piezoelectricity, ferroelectricity)
• Dielectric phenomena
• Metal-insulator transitions
• Structure of disordered materials
• Magnetic behavior in interacting electron systems
• Electronic spectra

Methods

• Density functional theory
• Fundamental basis and derivation of new functionals use of existing functionals
• Pseudopotentials
• Plane waves, real space grids, local orbitals
• Linear-scaling, order-N methods
• Ab Initio molecular dynamics
• Quantum Monte Carlo
• Analytic Green's function methods

NAME: Nicola Marzari

TOP

PRESENT POSITION:

AMAX Assistant Professor of Computational Materials

Materials Science and Engineering

MIT

Cambridge, MA 02139-4307

marzari AT mit DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Vladimir Matic

TOP

PRESENT POSITION:

Group Leader

Laboratory of Theoretical Physics

Vinca Institute

,

vladimir_matic AT vektor DOT net

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• High Tc cuprates, specifically pure YBCO, but also the YBCO doped by Ca and Zn.

Phenomena

• Impact of structural phase transformations in high-Tc cuprates, as induced by processes of oxygen ordering in these materials, on various electronic properties in superconducting CuO layers, such as: the so-called "doping" (that conventionally refers to the concentration of electronic holes generated in the layers), the Tc(x) dependence (x standing for the oxygen concentration), etc.
• In particular, explaining the phenomenon of the "two plateaus" in Tc(x) dependence in YBCO, in terms of OII ordering, is the subject on which we have made some progress.

Methods

• 1) The Cluster Variation Method as applied to lattice-gass models, or, to equivalent Ising models. The asymetric two dimensional next nearest neighbor Ising model (known as the ASYNNNI model) has long been in the focus of our research.
• 2) Monte Carlo method.

NAME: C. William McCurdy

TOP

PRESENT POSITION:

Assoc. Lab Director for Computing

Applied Science (Davis), Chemistry (Berkeley)

LBNL, UC-Davis, Berkeley

Berkeley, CA 94720

mccurdy AT lbl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Andy McMahan

TOP

PRESENT POSITION:

Participating Guest

Physics and Advanced Technologies Department, LLNL

Lawrence Livermore National Laboratory

,

amcmahan AT llnl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• f-electron metals including rare earths, transition-metal compounds

Phenomena

• strong electron correlation, high-pressure physics

Methods

• Dynamical Mean Field Theory, local density functional theory

NAME: Robert D. McMichael

TOP

PRESENT POSITION:

Physicist

Metallurgy Div.

NIST

Gaithersburg, MD 20899-8552

robert DOT mcmichael AT nist DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Magnetic Materials, especially thin films

Phenomena

• Magnetoresistance
• Magnetization Dynamics
• Anisotropy

Methods

• Computational Micromagnetics
• Ferromagnetic Resonance
• Magnetoresistance

NAME: Ali Md. Ehesan

TOP

PRESENT POSITION:

Graduate Student

Chemistry

Indian Institute of Technology-Bombay

,

ehesan AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Roderick Melnik

TOP

PRESENT POSITION:

Professor

Mathematics

Wilfrid Laurier University

Waterloo, ON N2L 3C5

rmelnik AT wlu DOT ca

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• shape memory alloys and materials with memory,
• piezoelectrics, semiconductors; applications in bio- and nanotechnology

Phenomena

• phase transitions, thermomechanics, coupled field phenomena and energy transfer

Methods

NAME: Bryce Meredig

TOP

PRESENT POSITION:

Graduate Student

Materials Science and Engineering

Northwestern University

,

bmeredig AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• oxides, organics

Phenomena

• thermodynamics,
• magnetism,
• morphology

Methods

• DFT, classical MD,
• Monte Carlo, genetic
• algorithms

NAME: Paul Millett

TOP

PRESENT POSITION:

Postdoc

Wolf Group: Materials Science Department

Idaho National Laboratory

,

Paul DOT Millett AT inl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Metallic and ceramic materials used in extreme environments that include high temperature, stress, and irradiation.

Phenomena

• Thermal-mechanical behavior of materials at the microstructural length scale including grain growth and deformation.

Methods

• Molecular dynamics as well as mesoscale methods including phase field modeling, front-tracking method, and meshfree methods.

NAME: Eric Mockensturm

TOP

PRESENT POSITION:

Asst Prof

Mechanical Engineering

Penn State University

,

emm10 AT psu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• carbon

Phenomena

• instabilities

Methods

• coarse-graining

NAME: Joshua Monk

TOP

PRESENT POSITION:

Post Doctorate

Materials & Physics Engineering

Ames Labs

,

monkj AT ameslab DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Nanorods
• NC-Metallics
• Metallic Foams
• Binary Alloys

Phenomena

• Solid-Liquid
• Interface Mobility
• in pure metals and
• binary alloys
• Dislocation mobility
• Irradiation of
• Metallic Foams
• Three Point bending
• of Nanorods

Methods

• EAM potential
• Molecular Dynamics

NAME: Juana Moreno

TOP

PRESENT POSITION:

Assistant Professor

Physics and Astronomy

Louisiana State University

,

moreno AT phys DOT lsu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Brian Moritz

TOP

PRESENT POSITION:

Research Associate

SLAC National Accelerator Laboratory and the Stanford Institute for Materials and Energy Science

,

moritzb AT SLAC DOT stanford DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: James R. Morris

TOP

PRESENT POSITION:

Senior Scientist

Physics

Oak Ridge National Laboratory

Oak Ridge, TN 37831-6115

morrisj AT ornl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Martensitic systems and alloys
• Semiconductor and diamond grain boundaries
• Deformation twinning in anisotropic materials (hcp metals, including Zr, Ti, Mg and Be)

Phenomena

• Phase diagram calculations (melting lines, free energy calculations)
• Anharmonic phonon behavior, nature of fluctuations, and transformation process in martentites
• Deformation twinning
• Atomic structure of defects

Methods

• Ab initio calculations
• Tight-binding calculations
• Classical molecular dynamics
• Genetic Algorithm optimization

NAME: Eduardo Mucciolo

TOP

PRESENT POSITION:

Associate Professor

Physics

University of Central Florida

,

mucciolo AT physics DOT ucf DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Katharine Mullen

TOP

PRESENT POSITION:

Researcher

Structure Determination Methods Group, Ceramics Division

National Institute of Standards and Technology

,

katharine DOT mullen AT nist DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Rick Muller

TOP

PRESENT POSITION:

Senior Member of the Technical Staff

Multiscale Dynamic Material Models

Sandia National Laboratories

,

rmuller AT sandia DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Inorganic and organometallic chemistry, esp. with late transition metals

Phenomena

• Homogeneous and heterogeneous catalysis, photochemistry and excited state chemistry, energy chemistry

Methods

• Electronic structure theory, density functional theory, quantum chemistry

NAME: Artem Oganov

TOP

PRESENT POSITION:

Assoc. Professor

Geosciences; Physics and Astronomy

Stony Brook University

,

artem DOT oganov AT sunysb DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• inorganic materials

Phenomena

• phase transitions
• plasticity
• physical properties

Methods

• DFT;
• evolutionary
• algorithms;
• metadynamics;
• transition path
• sampling; molecular
• dynamics; Monte
• Carlo

NAME: Julius Ojwang

TOP

PRESENT POSITION:

Postdoctoral Fellow

Geophysical Laboratory

Carnegie Institution of Washington

,

ojgojwang AT yahoo DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Mott Insulators

Phenomena

• High pressure

Methods

• DFT, DFT+DMFT,
• Multiscale Modelling
• (interatomic
• potential +
• molecular
• simulations), QMC

NAME: Yury Osetskiy

TOP

PRESENT POSITION:

Senior R&D Staff Member

Computer Science and Mathematics Division

Oak Ridge National Laboratory

,

osetskiyyn AT ornl DOT gov

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Metals and Alloys, Ceramics

Phenomena

• Radiation effects, mechanical and thermal treatment, mass transport, phase transitions

Methods

• Atomic-scale modeling, meso-scale modeling, theory

NAME: Rahmi Ozisik

TOP

PRESENT POSITION:

Assistant Professor

Materials Science & Engineering

Rensselaer Polytechnic Institute

,

ozisik AT rpi DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Polymers, Nanocomposites, Carbon nanotubes

Phenomena

• Interfaces, Mechanical and rheological properties, Glass transition temperature, Plastic deformation, Crystallization, Supercritical fluid assisted processing of nanocomposites

Methods

• Molecular Dynamics, Monte Carlo, Coarse-graining, Multiscale simulations

NAME: Kuhu Pal (nee Dutta)

TOP

PRESENT POSITION:

Scientist

Institute of Engineering and Management

Salt Lake, Kolkata

kuhu305 AT hotmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

Phenomena

Methods

NAME: Amit Pandey

TOP

PRESENT POSITION:

PhD Student

Non-Linear Material Lab

Mech. Eng.

,

amitpandey02 AT gmail DOT com

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Titanium
• Aluminium
• Nano-Materials
• Soil and Rock

Phenomena

• Fatigue
• High Temp
• Quasi-Static and Dynamic Behavior

Methods

• Mostly Experimental-MTS, Nano-Indentation

NAME: Sumeet Pandey

TOP

PRESENT POSITION:

Graduate Student

Department of Chemical Engineering

UMass-Amherst

,

scpandey AT engin DOT umass DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Amorphous and Nanocrystalline Silicon Thin Films
• EB/EUV Photoresists
• Compound Semiconductor Nanocrystals
• Carbon Nanotubes

Phenomena

• Thin Film Deposition and Epitaxy (PECVD, MOVPE)
• Surface Kinetics and Growth
• EB EUV Lithography
• Compositional Relaxation and Segregation
• Hydrogen Induced Crystallization

Methods

• Kinetic Monte Carlo
• Monte Carlo Methods
• Ab-initio and Density Functional Theory
• Molecular Dynamics
• Coarse KMC and MD

NAME: Sokrates T. Pantelides

TOP

PRESENT POSITION:

Professor

Physics

Vanderbilt University

Nashville, TN 37235

pantelides AT vanderbilt DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Semiconductors
• Metals
• Ionic materials and oxides
• Polycrystals

Phenomena

• Oxidation
• Diffusion, defect evolution
• Segregation
• Electron transport in nanodevices
• Interactions of intense radiation with matter
• Radiation effects in microelectronics

Methods

• Density functional theory
• Time-dependent density functional theory
• Classical molecular dynamics
• Monte Carlo

NAME: Melissa Pasquinelli

TOP

PRESENT POSITION:

Assistant Professor

Fiber and Polymer Science/TECS

North Carolina State University

,

melissa_pasquinelli AT ncsu DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• polymers,
• nanostructured
• materials,
• composites,
• biologically-inspired materials,
• biosensors,
• fiber-forming
• systems

Phenomena

• self assembly,
• biological
• mechanisms,
• diffusion, molecular
• recognition, toxicty

Methods

• Multiscale modeling,
• molecular dynamics,
• quantum
• chemistry-based
• modeling

NAME: Durga Paudyal

TOP

PRESENT POSITION:

Research Associate, Materials and Engineering Physics

Ames Laboratory

,

dpaudyal AT iastate DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Rare earths, transition metals and their alloys

Phenomena

• Magnetism
• Magnetostructural transitions
• Magnetocaloric effects

Methods

• Electronic structure methods using density functional theory
• Model calculations to incorporate finite temperature effects

NAME: Simon Phillpot

TOP

PRESENT POSITION:

Professor

Department of Materials Science and Engineering

University of Florida

,

sphil AT mse DOT ufl DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Oxides including urania, perovskites, pyrochlores, ceria, bismuth oxide and zirconia; metals; silicon and silica; diamond; polytetrafluoroethylene, molybdenum disulphide

Phenomena

• Heat transport and phonon dynamics, dielectric and ferroelectric properties,ionic transport in solid electrolytes, tribology, molecular motors, radiation damage, mechanical deformation

Methods

• Molecular dynamics, electronic structure calculations, mesoscale models

NAME: Warren E. Pickett

TOP

PRESENT POSITION:

Professor

Physics

University of California at Davis

Davis, CA 95616

pickett AT physics DOT ucdavis DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• Magnetic compounds, magnetic nanoparticles
• Transition metal oxide and nitride magnets
• Magnetism of surfaces and interfaces
• Novel superconductors, coexisting magnetism and superconductivity
• Correlated electron materials, volume collapse systems

Phenomena

• Half-metallic magnetism
• Exchange interactions between magnetic moments
• Magnetism, non-collinear magnetism, magneto-crystalline anisotropy
• Phase transitions: magnetic, electronic, structural

Methods

• Ab initio electronic structure, DFT-LSDA
• Beyond LSDA methods: LDA+U, dynamical mean field, other
• Ab initio pseudo-potential electronic structure methods: USP
• Noncollinear spin calculation, spin dynamics
• Constrained DFT, fixed spin moment in LSDA

NAME: Liudmila Pozhar

TOP

PRESENT POSITION:

Assistant Professor

Physics

University of Idaho

,

lpozhar AT uidaho DOT edu

Phone:

Fax:

MAJOR RESEARCH INTERESTS:

Materials

• semiconductor and
• exchange-biased
• quantum dots and
• wires; nanosystems
• and nanofluids;
• stronghly spatially
• inhomogeneous
• systems

Phenomena

• transport processes
• in strongly
• spatially
• inhomogeneous
• quantum and
• classical systems;
• equilibrium
• properties

Methods

• quantum many-body
• field theory;
• quantum and
• classical stat.
• mechanics;
• fundamental theory-
• based computational
• methods; EMD/NEMD;
• virtual synthesis
• of nanomaterials
• and molecules with
• pre-designed
• electronic and
• magnetic
• properties