FY99 Initial MPP Awards

YORAM

ALHASSID

HNP

NP

MCGRORY

67046

mp69

Monte Carlo Methods for Nuclear Structure

33,800

100

CYNTHIA

ATHERTON

BER

ESD/CHAMMP

ELWOOD

65142

mp163

"The use of MPP to investigate the roles of aerosols, stratospheric transport, and natural and anthropogenic emissions on tropospheric ozone using a global tropospheric/stratospheric model "

20,000

1,000

ROBERT

AVERBACK

BES

MATSCI

LEISER

64909

mp99

Nonequilibrium Processing of Materials Using Beams of Particles and Clusters.

15,000

250

AHMET

AYDEMIR

OFE

OFE

CRISP

66286

mp77

Comprehensive modelling and transport studies

3,000

180

FERDINAND

BAER

BER

ESD/CHAMMP

ELWOOD

65542

mp188

Modeling 3D decaying turbulence on the sphere with SEAM

4,000

500

FERDINAND

BAER

BER

ESD/CHAMMP

ELWOOD

65854

mp58

Studying climate response to regional and subgrid scales with SEAM

500

140

David

Bailey

CTR

MICS/MSR

HOWES

66356

mp184

"Multi-precision, multi-processor vortex roll-up simulation"

1,000

50

TIM

BARNETT

BER

ESD/CHAMMP

ELWOOD

65302

mp189

Dynamics and Predictability of Decadal Climate Variations

6,000

1,000

PAUL

BASH

CTR

MICS

KITCHENS

65402

gc8

Protein Dynamics and Biocatalysis

96,000

660

ALI

BELKACEM

BES

CHEMSCI

MARTINEZ

65311

mp34

Numerical treatment of the time dependent Dirac equation in relativistic heavy ion collisions and application to lepton pair production.

14,000

56

ALEXIS

BELL

BES

CHEMSCI

MILLMAN

66625

mp182

Dynamic Monte-Carlo Studies of Reaction and Diffusion in Zeolite Catalysts

1,200

94

JOHN

BELL

CTR

MICS/MSR

HOWES

64990

mp111

AMS Base Program -- Large Scale Scientific Computations

20,000

1,500

ROY

BENEDEK

BES

CHEMSCI

MILLMAN

65337

mp169

First Principles Calculations for Lithium Battery Electrode Materials

2,200

0

JOSEPH

BISOGNANO

HNP

NP

MCGRORY

64831

mp159

Effects of Coherent Synchrotron Radiation on Accelerator Performance.

1,000

1,000

Robert

Brandenberger

HNP

HEP

MANDULA

65242

mp185

Cosmic string dynamics

5,000

120

NANCY

BROWN

BES

CHEMSCI

KIRCHHOFF

66291

mp122

Combustion Chemistry

1,000

85

JAMES D.

CALLEN

OFE

OFE

CRISP

65339

mp200

UW-Madison Fusion MPP

6,500

3,000

JOSEPH

CARLSON

HNP

NP

MCGRORY

64843

mp33

Quantum Monte Carlo for Nuclei for P-shell Nuclei

20,000

1,000

SHLOMO

CASPI

HNP

HEP

PETERS

66705

mp75

High Field Superconducting Magnet Field Computations

500

48

CHRISTINE

CELATA

OFE

OFE

CRISP

65312

mp40

"Multiple beam transport through the ""final focus"" and reactor vessel regions of a heavy-ion driver for inertial fusion energy"

3,000

97

CHIPING

CHEN

HNP

HEP

PETERS

66293

mp187

Computational Investigation of Periodically Focused Intense Charged-Particle Beams

1,000

360

ALEXANDER

CHORIN

CTR

MICS/MSR

HOWES

64425

mp80

Analytical and Numerical Methods

800

300

DARYL

CHRZAN

BES

MATSCI

LEISER

66163

mp110

Calculation of the Peierls Stress in Diamond Cubic Materials

8,000

180

BRUCE

COHEN

CTR

MICS

KITCHENS

64142

gc3

Numerical Tokamak Turbulence Project

350,000

11,900

BRUCE

COHEN

OFE

OFE

CRISP

64080

mp2

LLNL MFE Massively Parallel Computing:

45,000

1,900

MARVIN

COHEN

BES

MATSCI

LEISER

66845

mp173

Properties of Hard Materials and Fullerene Solids

9,000

500

PETER

CUMMINGS

BES

CHEMSCI

KIRCHHOFF

64849

mp138

Molecular-Based Simulation of Complex Fluids

25,000

338

JOHN

DAWSON

OFE

OFE

CRISP

65247

mp201

Turbulent and MHD behavior of free liquid jets and films

5,000

300

JOHN

DAWSON

OFE

OFE

CRISP

64700

mp28

Fusion Plasma Modeling Using 3-D Particle-in-Cell Simulations at UCLA

27,500

8,060

STEPHEN

DERENZO

BER

MABRD

EDMONDS

65250

mp196

Defect relaxation in inorganic crystal scintillators (FTP 4450- Positron 3D Imaging Instrument)

5,000

0

TOMAS

DIAZ DE LA RUBIA

OFE

OFE

CRISP

67780

mp43

Microstructure evolution in irradiated materials

3,000

100

DAVID

DIXON

BES

CHEMSCI

KIRCHHOFF

66605

mp165

Benchmarking Computational Chemistry for Combustion Modeling Needs

5,000

465

DAVID

DIXON

CTR

MICS

KITCHENS

66298

mp60

Environmental Technology Partnerships: Computational Thermochemistry

15,000

150

JOHN

DRAKE

BER

ESD/CHAMMP

ELWOOD

64365

mp125

Parallel Algorithms for Global Climate Models

6,000

120

ADOLFO

EGUILUZ

BES

MATSCI

LEISER

66967

mp174

Ab Initio Investigation of Dynamical Electronic Response and Many-Body Effects in Solids

22,000

250

CHARLOTTE

ELSTER

HNP

NP

MCGRORY

64696

mp20

Microscopic Calculations of Nuclear Scattering: Three Nucleon Scattering and Bound State Calculations in Three Dimensions

8,000

60

WILLIAM

FAWLEY

HNP

HEP

PETERS

65083

mp197

Numerical Simulation of Short-wavelength FEL''s Utilizing Self-Amplified Simulated Emission (SASE)

500

25

ANDREW

FELMY

BES

GEOSCI

DAVIDSON

66361

mp119

Structure and Reactivity of Fe/Al Oxide and Oxyhydroxide Surfaces and Aqueous Interfaces: Molecular to Thermodynamic Scale

3,500

500

ARTHUR

FREEMAN

BES

MATSCI

LEISER

66365

mp134

Magnetic and transport properties of CMR materials

5,000

700

ALEX

FRIEDMAN

OFE

OFE

CRISP

65306

mp42

3-D modeling of experimental accelerators for heavy-ion fusion in a parallel-processing environment

8,000

300

CHARLOTTE

FROESE-FISCHER

BES

CHEMSCI

MARTINEZ

64542

mp52

Theoretical studies of atomic transitions

1,000

282

MIGUEL

FURMAN

HNP

HEP

PETERS

64704

mp93

High-performance beam dynamics

625

120

DONALD

GLASER

CTR

MICS

KITCHENS

64969

mp181

Neural Modelling using Genesis

1,000

8

JAMES

GLIMM

CTR

MICS/MSR

HOWES

64554

mp123

A Numerical Study of Acceleration-Driven Fluid Interface Instabilities

2,500

200

JAMES

GUBERNATIS

CTR

MICS/MSR

HOWES

64883

mp17

Quantum Monte Carlo Simulations of the Periodic Anderson and Three-Band Hubbard Models

10,000

200

SALMAN

HABIB

HNP

HEP

MANDULA

64888

mp89

Topics in Nonequilibrium Field Theory

10,000

2,000

J. Woods

Halley

BES

MATSCI

LEISER

64062

mp175

Theoretical Study of Reactions at the Electrode-Electrolyte Interface

2,000

120

BRUCE

HARMON

BES

MATSCI

LEISER

65001

mp101

Photonic Band Gap Materials

8,000

300

ROBERT

HARRISON

CTR

MICS

KITCHENS

66785

gc6

Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides

184,000

4,000

MARTIN

HEAD-GORDON

BES

CHEMSCI

KIRCHHOFF

66299

mp54

Simulation of complex reacting chemical systems

20,000

282

TERESA

HEAD-GORDON

BER

MABRD

EDMONDS

64544

mp53

Global Optimization Approaches to Protein Tertiary Structure Prediction

36,000

20

ANTHONY

HESS

BES

GEOSCI

DAVIDSON

67147

mp25

Theoretical Characterization of the Physics and Chemistry of Soil Minerals

9,000

250

BRIAN

HINGERTY

BER

MABRD

EDMONDS

65320

mp106

Atomic Resolution Views of Carcinogen Modified Closed Circular DNA that Can Supercoil

100

60

STEVE

HOLBROOK

BER

HELSRD

HIRSCH

65305

mp105

Determination of Macromolecular Structure by Ab Initio Phasing of Crystallographic Diffraction Data

1,500

500

STEVE

HOLBROOK

BER

HELSRD

HIRSCH

64978

mp194

Structure and Mechanism of Catalytic RNA

1,500

180

VERNON

HUGHES

HNP

HEP

MANDULA

64885

mp131

Analysis of Experimental Data on Muonium Hyperfine Structure Interval and Muon Magnetic Moment Using Parallel Algorithms

12,000

180

VERNON

HUGHES

HNP

HEP

MANDULA

64966

mp186

Systematical Error Study for the new muon g-2 experiment

3,000

180

STEPHEN

JARDIN

OFE

OFE

CRISP

64963

mp19

3D Modeling of fusion plasmas

70,000

3,000

Daniel

Joseph

BES

ENGSCI

PRICE

64611

mp95

Direct Numerical Simulation and Modeling of Solid-Liquid Flows

6,400

360

CHAN

JOSHI

HNP

HEP

PETERS

66115

mp113

continuing studies of plasma beat wave accelerator

55,000

2,500

SIDNEY

KAHANA

HNP

NP

MCGRORY

65082

mp90

"Nuclear Astrophysics, Supernovae Spectra via MPP computation"

5,000

2,000

C Y JIM

KAO

BER

ESD/CHAMMP

ELWOOD

66056

mp86

Simulations of Lidar Data with a 3-D Turbulence Resolving Model

2,000

120

ALAIN

KARMA

BES

MATSCI

LEISER

64520

mp36

Modeling of Microstructural Pattern Formation in Directional Solidification

9,000

120

George

Karniadakis

CTR

MICS/MSR

HOWES

68065

mp216

DNS of Flow-Structure Interactions

2,500

100

GREGORY

KILCUP

CTR

MICS

KITCHENS

65847

gc1

Penguin Matrix Elements from Lattice QCD

250,000

11,440

DR. SUNG-HOU

KIM

BER

HELSRD

HIRSCH

65915

mp195

Computational Genomics of Microbes

1,500

300

JIN-SOO

KIM

HNP

HEP

PETERS

66289

mp92

Optimization and Design Tool of Electron Cyclotron Resonance Ion Sources

500

100

JOHN

KLEPEIS

BES

MATSCI

LEISER

64929

mp176

Growth and Formation of Advanced Heterointerfaces

12,000

500

KWOK

KO

HNP

HEP

PETERS

66447

mp198

"Advanced Accelerator Design, Modeling & Analysis"

10,000

5,000

DALE

KOELLING

BES

MATSCI

LEISER

64774

mp87

Atomic and Electronic Structure of Ceramic/Metal Interfaces

6,000

1,500

BORIS

KOGAN

BER

MABRD

EDMONDS

64099

mp66

Simulation of Cardiac Arrhythmias in 2- and 3-dimensional cardiac tissue

3,000

120

JOHN

KOGUT

HNP

HEP

MANDULA

65619

mp76

"The Scaling Window, Universality Class and Equation of State of the Quark-Gluon Plasma Transition in Two Flavor QCD"

50,000

5,000

UZI

LANDMAN

BES

MATSCI

LEISER

65382

mp97

"Quantum simulations of clusters, finite aggregates and nanostructures."

12,000

250

WILLIAM

LESTER

BES

CHEMSCI

KIRCHHOFF

66161

mp208

Parallel Quantum Monte Carlo for Molecules

3,000

99

JIANHUA

LI

BES

GEOSCI

DAVIDSON

64433

mp82

A SGILD parallel method for 3-D hydraulic conductivity inversion

3,000

200

DR. KEH-FEI

LIU

HNP

NP

MCGRORY

64483

mp7

Lattice QCD Calculation of Finite Density

15,000

6,825

PROF. STEVEN

LOUIE

BES

MATSCI

LEISER

65615

mp149

Computation of Materials Properties from First Principles

12,000

500

JIANPING

LU

BES

MATSCI

LEISER

66156

mp112

Carbon Nanotubes and related Nanostructures

2,000

120

EWING

LUSK

CTR

MICS

KITCHENS

65850

mp8

MPICH: MPI and MPI-IO for the T3E

500

180

ERNEST

MAJER

BES

GEOSCI

DAVIDSON

65313

mp35

Center for Computational Seismology

1,000

10

JOHN

MCLAUGHLIN

BES

ENGSCI

PRICE

64962

mp171

Surfactant Effects on Mass Transfer for Bubbles at Large Reynolds Numbers

1,000

180

ROBERTO

MECHOSO

BER

ESD/CHAMMP

ELWOOD

65617

mp190

Climate Studies Using General Circulation Models of the Atmosphere and Oceans

2,000

240

WILLIAM

MILLER

BES

CHEMSCI

KIRCHHOFF

64721

mp14

Semiclassical Initial Value Representation Methods for Reaction Dynamics.

26,000

113

ARTHUR

MIRIN

BER

ESD/CHAMMP

ELWOOD

65315

mp3

Climate System Modeling on Massively Parallel HPC Users

2,000

1,520

JOHN

MORRIS

BES

MATSCI

LEISER

65335

mp178

Theoretical Shear Strength of Materials

8,000

120

ALFRED

MSEZANE

BES

CHEMSCI

MILLMAN

65325

mp114

Studies of photon and electron interactions with atoms / ions

500

0

SOHAIL

MURAD

BES

CHEMSCI

MILLMAN

64550

mp170

Computer Simulations of Osmosis and Reverse Osmosis in Solutions

1,000

235

FARROKH

NAJMABADI

OFE

OFE

CRISP

66725

mp203

Plasma-Materials Interactions in the PISCES Edge Plasma Simulator - Kinetics Studies

1,000

540

RICK

NEBEL

OFE

OFE

CRISP

65272

mp204

"LANL T3E request for nonlinear, low-frequency studies of magnetically confined plasmas"

5,000

1,000

JOHN

NEGELE

HNP

NP

MCGRORY

64809

mp133

Study of Hadron Structure using Lattice QCD - MPP Production Request

10,000

3,220

Esmond

Ng

CTR

MICS/MSR

HOWES

65846

mp127

High-performance Sparse Matrix Algorithms for MPP Systems

1,000

50

JOHN

NICHOLAS

BES

CHEMSCI

MILLMAN

66786

mp38

Computational Chemistry Applications in Heterogeneous Catalysis

15,000

0

JEFFREY

NICHOLS

BES

CHEMSCI

MARTINEZ

66292

mp15

EMSL Molecular Science Software Development and Benchmarking

2,000

470

MARK

NOVOTNY

CTR

MICS/FSU

KITCHENS

65286

mp100

Massively Parallel Computer Calculations related to Metastability in Materials Science and `Stochastic Parallelization'

6,000

250

Tom

O'Brien

CTR

MICS/GDNGHBR

KITCHENS

65285

mp183

Computational Fluid Dynamics for Multiphase Flow as Applied to Spouted Beds of Fine Particles

500

25

DOUG

OLSON

CTR

MICS

KITCHENS

64690

gc5

Data Access and Analysis of Massive Datasets for High-Energy and Nuclear Physics

50,000

90,000

DOUG

OLSON

HNP

NP

MCGRORY

64691

mp46

Nuclear Physics Simulations and Analysis at PDSF

1,000

5,885

SCOTT

PARKER

OFE

OFE

CRISP

64692

mp118

Gyrokinetic simulation of plasma turbulence (MPP)

2,000

90

SAUL

PERLMUTTER

HNP

NP

MCGRORY

65022

mp128

Optimal Photometric Reduction of Supernova Images for Cosmological Measurements.

5,000

2,000

SAUL

PERLMUTTER

HNP

NP

MCGRORY

65024

mp22

Spectrum Synthesis of High Redshift Supernovae

23,000

1,250

JOHN

PETILLO

HNP

HEP

PETERS

64453

mp104

Dissemination & Support of the ARGUS Code with Application to Accelerator Design Problems

75

30

STEVEN

PIEPER

HNP

NP

MCGRORY

65104

mp26

Variational and Green's Function Monte Carlo Calculations of light nuclei.

8,200

200

ANDREA

PROSPERETTI

BES

ENGSCI

PRICE

64655

mp172

Computer-based closure of average equations for multi-phase flows

1,000

200

KARSTEN

PRUESS

BES

GEOSCI

DAVIDSON

65321

mp81

Numerical Simulation of Reactive Chemical Transport in Geologic Media

1,000

42

MARTIN

REISER

HNP

HEP

PETERS

66364

mp199

Transport of Space-Charge-Dominated Beams

1,000

1,500

DANIEL

ROKHSAR

BER

MABRD

EDMONDS

65845

mp31

Lattice and Off-Lattice Models for Protein Folding Kinetics

36,000

180

DOUG

ROTMAN

BER

ESD/CHAMMP

ELWOOD

64870

mp10

Parallel Computation of Atmospheric Chemistry

10,000

1,000

ROBERT

RYNE

CTR

MICS

KITCHENS

64023

gc2

Computational Accelerator Physics for Next-Generation Accelerator Applications

195,000

9,940

DALTON

SCHNACK

OFE

OFE

CRISP

64614

mp21

NIMROD Code Development

25,000

596

DAVID

SCHULTZ

BES

CHEMSCI

MARTINEZ

65722

mp167

Theory of non-relativistic and relativistic atomic collisions (MPP)

12,000

282

DAVID

SCHULTZ

OFE

OFE

CRISP

64356

mp48

Theoretical Atomic Physics for Fusion (MPP)

15,000

1,000

RYOICHI

SEKI

HNP

NP

MCGRORY

64066

mp121

The role of instanton in finite temperature QCD with dynamical quarks

11,680

240

STEVE

SELKOWITZ

CTR

MICS

KITCHENS

66565

mp130

Virtual Building Laboratory

500

90

HORST

SIMON

BER

ESD/CHAMMP

ELWOOD

66055

mp150

High-resolutions simulations of Southern Ocean Eddies using GFDL Modular Ocean Model (MOM).

10,000

2,800

HORST

SIMON

CTR

MICS

KITCHENS

65384

mp6

Sparse Linear Algebra Algorithms and Applications for MPPs

20,000

780

DONALD

SINCLAIR

HNP

HEP

MANDULA

64567

mp27

Thermodynamics and Spectrum of Lattice QCD with chiral 4-fermion interactions. Domain-wall fermions.

15,000

8,750

BARRY

SMITH

CTR

MICS

KITCHENS

65848

mp11

PETSc Development

2,995

180

PIOTR

SMOLARKIEWICZ

BER

ESD/CHAMMP

ELWOOD

64552

mp84

Nonlinear Stratified Flows

5,000

2,120

GEORGE

SMOOT

HNP

HEP

MANDULA

64477

mp107

Cosmic Microwave Background Data Analysis

10,000

4,500

GEORGE

SMOOT

HNP

HEP

MANDULA

64564

mp139

Data Analysis and Simulation for AMANDA and future km-scale Neutrino Detectors

4,500

23,027

DR. AMARJIT

SONI

HNP

HEP

MANDULA

64733

mp29

Weak Matrix Elements with Domain Wall Fermions

135,000

500

DON

SPONG

OFE

OFE

CRISP

64179

mp202

Massivelly Parallel Calculations of Turbulence and Transport in Magnetic Fusion Devices

25,000

1,000

GARRISON

SPOSITO

BES

GEOSCI

DAVIDSON

64626

mp47

Clay Mineral Surface Geochemistry

1,000

200

CHARLES

STILL

OFE

OFE

CRISP

65424

mp37

ClParallel 3-d Laser-Plasma Code for ICF Applications

1,000

600

G. MALCOLM

STOCKS

CTR

MICS

KITCHENS

65916

gc4

"Materials, Methods, Microstructure and Magnetism"

275,000

1,940

MICHAEL

STRAYER

HNP

NP

MCGRORY

64931

mp124

Computational Nuclear Structure and Astrophysics

30,320

220

OWEN

TOON

BER

ESD/CHAMMP

ELWOOD

67186

mp192

Multidimensional modeling of cirrus clouds and marine stratocumulus clouds for climate studies

500

240

DOUG

TOUSSAINT

HNP

HEP

MANDULA

64673

mp13

Improved actions for dynamical Kogut-Susskind quarks

46,700

60

ALAN

TURNBULL

OFE

OFE

CRISP

63928

mp152

Nonlinear MHD Stability Studies Using the NIMROD Code

3,000

1,000

ALAN

TURNBULL

OFE

OFE

CRISP

64868

mp94

"3D Fokker-Planck Studies of Heating, Current-Drive, and Runaway Generation, and Transport Simulations in Tokamaks"

1,000

100

GEORGE

VAHALA

OFE

OFE

CRISP

64361

mp32

NYHBRID: Lattice Boltzmann - RCO coupling

15,000

800

MICHEL

VAN HOVE

BES

MATSCI

LEISER

64478

mp180

Theory of Diffraction and Holography - T3E

1,500

60

AL

WAGNER

BES

CHEMSCI

KIRCHHOFF

66870

mp166

Chemical Scaling Studies in Combustion

1,000

170

ANDREW

WARE

OFE

OFE

CRISP

67246

mp205

Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators

500

180

W.

WASHINGTON

BER

ESD/CHAMMP

ELWOOD

63927

mp9

Coupled Parallel Climate Model (PCM) Applications to Climate Change Prediction for the IPCC and the National Assessment

128,000

7,000

WILLIAM

WEBER

BES

MATSCI

LEISER

64970

mp148

Bulk Defects and Defect Processes in Ceramics

4,000

120

MICHAEL

WEHNER

BER

ESD/CHAMMP

ELWOOD

65284

mp193

Program for Climate Model Diagnosis and Intercomparison

70,000

60

Mary

Wheeler

CTR

MICS/MSR

HOWES

67536

mp206

Multiblock Discretizations for Multiphysics Porous Media Problems

2,500

200

RALPH

WHITE

BES

CHEMSCI

MAUPIN

64972

mp168

Mathematical modeling of electrochemical systems

1,000

240

JOHN

WILKINS

BES

MATSCI

LEISER

65621

mp160

Object-oriented code development for large-scale defected material hyper-dynamics.

2,000

180

DONALD

WUEBBLES

BER

ESD/CHAMMP

ELWOOD

64787

mp79

Massively parallel modeling of global atmospheric chemistry and physics

500

100

GANQUAN

XIE

BES

GEOSCI

DAVIDSON

64448

mp71

New 3D Parallel GILD Geophysical and Hydrology Modeling and Subsurface Imaging Using Global Integral And Local Differential Decomposition Method

1,500

400

Manfred

Zorn

CTR

MICS

KITCHENS

65248

gc7

Genome Grand Challenge

5,000

120

ALEX

ZUNGER

BES

MATSCI

LEISER

64616

mp70

Application of electronic structure methods to large semiconductor quantum nanostructures

27,000

1,500