Program overview

MONDAY AFTERNOON, 25 AUGUST 1997

13:30 B1.01 Development and Application of a Parallel LCAO Cluster Method

David C. Patton (Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375)

14:06 B1.02 Electronic structure calculation approach based on the finite element method

John E. Pask, Barry M. Klein, C. Y. Fong (University of California, Davis)

14:18 B1.03 Computational Search for Specific Magnetoelectronic Characteristics

Warren E. Pickett (Naval Research Laboratory)

14:30 B1.04 Orbital magnetic moment enhancement at surfaces and interfaces within the framework of the LDA+U method.

A. B. Shick, A.J. Freeman (Northwestern U.), A.I. Liechtenstein (KFA Jülich)

14:42 B1.05 Volume-Collapse Transitions in f-electron Metals

A.K. McMahan, E.L. Pollock, P. Söderlind (LLNL), C.B. Huscroft, R.T. Scalettar (U.C. Davis)

14:54 B1.06 First-Principles Approach to Diffusion of Si Adatom on Hydrogenated Si(001) Surfaces

Sukmin Jeong, Atsushi Oshiyama (University of Tsukuba, Japan)

13:30 B2.01 Spin Dynamics Study of the 2-dim XY-Model

D. P. Landau (The University of Georgia)

14:06 B2.02 Molecular Dynamics Study of Mechanical Properties of Copper

Kimmo Kaski, Pekka Heino (Helsinki Univ. of Technology, Finland), Hannu Häkkinen (University of Jyväskylä, Finland)

14:18 B2.03 Non-universality of Phase Separation in 2-D Binary Fluids.

Gerardo Martinez, Sebastian Goncalves, Jose Roberto Iglesias (Institute of Physics, Federal University of Rio Grande do Sul, Porto Alegre, Brasil)

14:30 B2.04 Application of two dimensional periodic molecular dynamics to interfaces.

David H. Gay, Ben Slater, C. Richard A. Catlow (Royal Institution of Great Britain)

B2.05

14:54 B2.06 A Novel Phase Diagram For Size Disperse 2D Materials

M. Reza Sadr-Lahijany (Center for Polymer Studies, BU), Purusattam Ray (The Institute of Mathematical Sciences, CIT, India), H. Eugene Stanley (Center for Polymer Studies, BU)

B3.01

13:42 B3.02 A Computational Model for Simulation of Non-equilibrium Microscopic Electron Transport

Ming-C. Cheng (EE Dept., University of New Orleans)

13:54 B3.03 Tight Binding Simulation of Memory Switching in Resonant Tunneling= Devices

Olin Hartin, Dean Neikirk (University of Texas at Austin)

14:06 B3.04 Calculation of Carrier Confinement in Buried SiGe Layers

M. J. Hargrove (IBM), C. E. Hembree (Siemens), A.K. Henning (Redwood Micro Systems), J. A. Slinkman (IBM), Y. Zhang (National Semiconductor)

14:18 B3.05 Nonparabolic Hydrodynamic Modeling of Submicron Semiconductor Devices

Liangying Guo, Ming-C. Cheng, Robert Fithen, Yansheng Luo (University of New Orleans)

14:30 B3.06 Alq_3 Based LEDs: Structural, Electronic and Vibrational Properties from ab-initio Calculations.

Alessandro Curioni (IBM Research Division, Zurich Research Laboratory)

13:30 B4.01 Recent Developments in Computational Methods for the Solution of Magnetohydrodynamic Equations

N. Aslan (Marmara University, Istanbul, Turkey), T. Kammash (University of Michigan, Ann Arbor, MI)

13:42 B4.02 Simulation of Fast Ignitor Physics using GaPH (a Fluid Element Particle in Cell) method

J. W. Shon, W. B. Bateson, D. W. Hewett, H. A. Baldis, M. Tabak (Lawrence Livermore National Laboratory)

13:54 B4.03 M3D(Multi-level 3D) Project for Simulation of Plasmas

W. Park, G.Y. Fu, E.V. Belova (Princeton U.), H.R. Strauss (NYU), L.E. Sugiyama (MIT)

14:06 B4.04 Alternative numerical treatment of the relativistic drift approximation and low-noise \cal V\/PIC technology

Michael Smolsky (Weizmann Institute of Science)

B4.05

14:30 B4.06 Development and Application of a Parallel MHD code

Jr. Peterkin (Air Force Research Laboratory: Phillips Lab)