Program overview

TUESDAY AFTERNOON, 26 JUNE 2001

13:30 H1.001 Tight-Binding Parametrizations for Large Scale Materials Science Computations

Michael J. Mehl, Dimitrios A. Papaconstantopoulos (Center for Computational Materials Science, Naval Research Laboratory, Washington DC 20375-5000)

14:06 H1.002 Kinetic Energy Functionals for Real-Space Orbital-Free Electronic Structure Calculations

Nick Choly (Division of Engineering and Applied Science, Harvard University), Efthimios Kaxiras (Department of Physics, Harvard University)

14:18 H1.003 An O(N) real-space method for ab initio quantum transport calculations: application to carbon nanotube-metal contacts

J. Bernholc, M. Buongiorno Nardelli (Physics Dept., NC State U., Raleigh), J.-L. Fattebert (Center for Applied Scientific Computing, Lawrence Livermore Nat. Lab., CA 94551)

14:30 H1.004 Thomas-Fermi charge mixing for obtaining self-consistency in density

David Raczkowski, Andrew Canning, L.W. Wang (lawrence berkeley national laboratory)

14:42 H1.005 ANEBA: Adaptive Nudged Elastic Band Approach

Paul Maragakis, Efthimios Kaxiras (Harvard University)

13:30 H2.001 Universal Fluctuation Statistics for the Rayleigh-Taylor Interface

Gary D. Doolen, Timothy Clark, Eli Ben-Naim (Los Alamos National Laboratory)

13:42 H2.002 Calculation of Saffman-Taylor Instability in Non-Newtonian Hele-Shaw Flow

Justyna Czerwinska (Technical University - Dresden, Center for High Performance Computing, D-01062 Dresden, Germany), Uwe Fladrich (Technical University - Dresden, Center for High Performance Computing, D-01062 Dresden, Germany)

13:54 H2.003 Modeling and Direct Numerical Simulation of Ternary Fluid Flows

Jun-Seok Kim, John Lowengrub (School of Math, University of Minnesota, Minneapolis MN 55455), Ellen Longmire (Dept of Aerospace Engineering and Mechanics, U. Minnesota, Minneapolis MN 55455), University of Minnesota Collaboration

14:06 H2.004 Lattice Gas Simulations of Surfactant Systems

Brian Gregor (Boston University), Bruce Boghosian (Tufts University)

14:18 H2.005 A coupled wavelet-finite element analysis for simulating kinetic theory models of liquid crystalline polymers in complex flow environment

Jason K.C. Suen, Robert A. Brown, Robert C. Armstrong (Department of Chemical Engineering, Massachusetts Institute of Technology)

14:30 H2.006 Mobility Profile and Flow Response in a Open Porous Medium: A Lattice Gas Simulation

Luis Cueva, Ras Pandey (University of Southern Mississippi), Joe Gettrust (Naval Research Laboratory, Stennis Space Center)

14:42 H2.007 Optimal Control of Flow Separation in Unsteady Electrically Conducting Flows

S.S. Ravindran (University of Alabama in Huntsville)

13:30 H3.001 A Multipurpose Computer-Algebra Program for Upper-Level Physics Courses

Laurence I. Gould (Physics Department, University of Hartford)

13:42 H3.002 Developing Components and Curricula for a Research-Rich Undergraduate Degree in Computational Physics

Rubin Landau (Department of Physics, Oregon State University, Corvallis)

13:54 H3.003 Simulated Thin-Film Growth and Imaging

Michael Schillaci (Francis Marion University)

14:06 H3.004 Parallel Visualization of the optical pulse propagation through a doped optical fiber

Elizeu Santos-Neto, Luiz Tenorio, Eduardo Fonseca, Solange Cavalcanti, Jandir Hickmann (Departamento de Física/Universidade Federal de Alagoas)

14:18 H3.005 Scalable Parallel Dynamic Monte Carlo for Large Asynchronous Systems: Non-equilibrium Surface Growth and Algorithmic Scalability

G. Korniss (RPI), M.A. Novotny, P.A. Rikvold (FSU), Z. Toroczkai (LANL)

14:30 H3.006 Parallel computing on a PC Linux Cluster

Pavel Travnicek, T. Dytrych, P. Hellinger, V. Jasensky, J. Soucek (Department of Space Physics, IAP, AS CR, Bocni II/1401, CZ-14131 Prague 4, Czech Republic)

14:42 H3.007 Use of the Web by a Distributed Research group Performing Distributed Computing

David A. Burke, Robert E. Peterkin (Air Force Research Laboratory)

13:30 H4.001 Lattice-Independent Approach to Thermal Phase Mixing

Carmen Gagne, Marcelo Gleiser (Dartmouth College)

13:42 H4.002 Quantifying Non-Equilibrium Behavior with Varying Quench Rates

Carmen Gagne, Marcelo Gleiser (Dartmouth College)

13:54 H4.003 Disclination loop behavior near the nematic-isotropic phase transition

Nikolai Priezjev, Robert Pelcovits (Department of Physics, Brown University, Providence RI 02912)

14:06 H4.004 Quantum tunneling double-barrier penetration and the substituent effect on non-linear I/V characteristics in a two-terminal molecular electronic device

Karl Sohlberg (Department of Chemistry, Drexel University), Nikita Matsunaga (Department of Chemistry and Biochemistry, Long Island University)

14:18 H4.005 Computing with Category Theory

Saul Youssef (Center for Computational Science, Boston University)

14:30 H4.006 A molecular-dynamics study of melting and orientational order of the screened Wigner crystal on helium films

José Pedro Rino, Paulo S. Branício, Nelson Studart (Departamento de Física - Universidade Federal de São Carlos, São Carlos, SP-BRAZIL)

14:42 H4.007 Elucidating Mechanisms of Extensive Chaos

David A. Egolf (Dept. of Physics, Georgetown University and CNLS, Los Alamos National Laboratory), Ilarion V. Melnikov (Dept. of Physics, Duke University), Werner Pesch (Theoretical Physics II, University of Bayreuth), Robert E. Ecke (MST-10 and CNLS, Los Alamos National Laboratory)

14:54 H4.008 Relationship between Potential Energy Landscapes and the Melting Transition

Charusita Chakravarty, Pooja Shah (Department of Chemistry, Indian Institute of Technology-Delhi, Hauz Khas, New Delhi 110016, India.)