April 24, 1997 |
The PLTMG software Randolph Bank (University of California, San Diego) |
PDE Software |

April 24, 1997 |
Review of the PETSc exercise Hidehiro Fujio (NEC Corporation) |
PDE Software |

April 23, 1997 |
SCIRun Steven Parker (The University of Utah) |
PDE Software |

April 23, 1997 |
An exercise using PETSc Barry Smith (Argonne National Laboratory) |
PDE Software |

April 23, 1997 |
An Application example using PETSc Barry Smith (Argonne National Laboratory) |
PDE Software |

April 23, 1997 |
The PETSc software Barry Smith (Argonne National Laboratory) |
PDE Software |

April 23, 1997 |
Review of the FEEL exercise Hidehiro Fujio (NEC Corporation) |
PDE Software |

April 23, 1997 |
An exercise using FEEL Hidehiro Fujio (NEC Corporation) |
PDE Software |

April 23, 1997 |
An Application example using FEEL Hidehiro Fujio (NEC Corporation) |
PDE Software |

April 23, 1997 |
The FEEL software Hidehiro Fujio (NEC Corporation) |
PDE Software |

April 23, 1997 |
Review of the MATLAB exercise Lars Langemyr (COMSOL AB) |
PDE Software |

April 22, 1997 |
An exercise using MATLAB Lars Langemyr (COMSOL AB) |
PDE Software |

April 22, 1997 |
An Application example using MATLAB Lars Langemyr (COMSOL AB) |
PDE Software |

April 22, 1997 |
The MATLAB PDE software Lars Langemyr (COMSOL AB) |
PDE Software |

April 22, 1997 |
An exercise using FreeFEM Olivier Pironneau (Université de Paris VI (Pierre et Marie Curie)) |
PDE Software |

April 22, 1997 |
An application example using FreeFEM Olivier Pironneau (Université de Paris VI (Pierre et Marie Curie)) |
PDE Software |

April 22, 1997 |
The FreeFEM software Olivier Pironneau (Université de Paris VI (Pierre et Marie Curie)) |
PDE Software |

April 22, 1997 |
Review of the DIFFPACK exercise Hans Langtangen (University of Oslo) |
PDE Software |

April 21, 1997 |
An exercise using DIFFPACK Hans Langtangen (University of Oslo) |
PDE Software |

April 21, 1997 |
An application example using DIFFPACK Hans Langtangen (University of Oslo) |
PDE Software |

April 21, 1997 |
The DIFFPACK software Hans Langtangen (University of Oslo) |
PDE Software |

April 21, 1997 |
An exercise using FEAT Stefan Turek (Ruprecht-Karls-Universität Heidelberg) |
PDE Software |

April 21, 1997 |
An Application example using FEAT Stefan Turek (Ruprecht-Karls-Universität Heidelberg) |
PDE Software |

April 21, 1997 |
The FEAT software Stefan Turek (Ruprecht-Karls-Universität Heidelberg) |
PDE Software |

April 21, 1997 |
Welcome |
PDE Software |

April 11, 1997 |
Visualization and the Internet Michael Pique (Scripps Research Institute) |
Mathematical and Computational Issues in Drug Design |

April 11, 1997 |
Finding New Function Sites of Proteins Based on Frequency Analysis of Oligopeptides in the Genome Data Hirofumi Doi (Fujitsu) |
Mathematical and Computational Issues in Drug Design |

April 11, 1997 |
Deducing Objective Site Models by Mixed Integer Programming Gordon Crippen (University of Michigan) |
Mathematical and Computational Issues in Drug Design |

April 10, 1997 |
Rational Drug Design and All That. An Evolutionary Process Ralph Hirschmann (University of Pennsylvania) |
Mathematical and Computational Issues in Drug Design |

April 10, 1997 |
Cell-Based Methods for Sampling High-Dimensional Spaces Jason Rush (University of Washington) |
Mathematical and Computational Issues in Drug Design |

April 10, 1997 |
Applications of Distributed Computing to Molecular Modeling and Drug Discovery Brian Luke (IBM) |
Mathematical and Computational Issues in Drug Design |

April 10, 1997 |
To Be Announced David Rogers (Molecular Simulations Inc.) |
Mathematical and Computational Issues in Drug Design |

April 10, 1997 |
Applications of Neural Networks in Drug Design Markus Wagener (SmithKline Beecham Pharmaceuticals) |
Mathematical and Computational Issues in Drug Design |

April 09, 1997 |
What are the New Problems That Should be Addressed in the Next Ten Years? Jeff Blaney (Chiron Corporation) |
Mathematical and Computational Issues in Drug Design |

April 09, 1997 |
Molecular Dynamics Simulations Using Fast Ewald Summation Thomas Darden (National Institute of Environmental) |
Mathematical and Computational Issues in Drug Design |

April 09, 1997 |
Molecular Dynamics Information Extraction Denniis Sprous (Wesleyan University) |
Mathematical and Computational Issues in Drug Design |

April 09, 1997 |
Two Problems in Drug Design: Additivity Principles and Conformational Search Strategies Ken Dill (University of San Francisco) |
Mathematical and Computational Issues in Drug Design |

April 08, 1997 |
Application of the GrowMol Computer Program to the Aspartic Acid Pepsin: Results of the Design and Synthesis of a Novel Inhibitor Regine Bohacek (ARIAD Pharmaceuticals Inc.) |
Mathematical and Computational Issues in Drug Design |

April 08, 1997 |
Interactive Molecular Design using Binding Sites and Pharmacophores with Reference to the Potency Prediction Problem Colin Mcmartin (Thistlesoft) |
Mathematical and Computational Issues in Drug Design |

April 08, 1997 |
Combinatorial Chemistry and Molecular Diversity Jeff Blaney (Chiron Corporation) |
Mathematical and Computational Issues in Drug Design |

April 08, 1997 |
Solvation Effects and Their Impact on Drug Design Christopher Cramer (University of Minnesota, Twin Cities) |
Mathematical and Computational Issues in Drug Design |

April 07, 1997 |
What are the Most Important Problems in Drug Design That May Be Computationally Tractable? Tony Hopfinger (University of Illinois, Chicago), Jeffrey Howe (Upjohn Company) |
Mathematical and Computational Issues in Drug Design |

April 07, 1997 |
Molecular Similarity W. Graham Richards (University of Oxford) |
Mathematical and Computational Issues in Drug Design |

April 07, 1997 |
Matching Chemical and Biological Structures Using Graph-Theoretical Techniques Peter Willett (University of Sheffield) |
Mathematical and Computational Issues in Drug Design |

April 07, 1997 |
Prediction of Affinities of Molecular Complexes: A Hybrid Approach Garland Marshall (Washington University) |
Mathematical and Computational Issues in Drug Design |

March 21, 1997 |
On the Fully Discretized Model for the Inverse Problem in Radiation Therapy Treatment Planning Yair Censor (Haifa University) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 21, 1997 |
Electrical Impedance Imaging David Isaacson (Rensselaer Polytechnic Institute) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 21, 1997 |
3-D Visualization, Smoothing and Segmentation of Tomogram Data and Applications to Surgery Willi Jäger (Ruprecht-Karls-Universität Heidelberg) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 20, 1997 |
Wavelets and Localised Tomography Rolf Clack (The University of Utah) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 20, 1997 |
Some Recent Results in Cone-Beam Tomography Rolf Clack (The University of Utah) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 20, 1997 |
Vector Field Tomography Gunnar Sparr (Lund Institute of Technology) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 20, 1997 |
Mathematical Problems in Microwave Medical Imaging David Colton (University of Delaware) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 19, 1997 |
A Novel Approach to Numerical Methods in Diffuse and Acoustical Imaging Michael Klibanov (University of North Carolina) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 19, 1997 |
Inverse Radiation Treatment Planning--- Theoretical and Implementational Issues Weldon Lodwick (University of Colorado Denver) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 19, 1997 |
New Inverse Problems and Applications of Old Ones Lawrence Shepp (Alcatel-Lucent Technologies Bell Laboratories) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 18, 1997 |
Nonlinear Inverse Problems and Emission Tomography Peter Maass (Universität Potsdam) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 18, 1997 |
Bioelectric Field Imaging Problems: Modeling, Computation, and Visualization Christopher Johnson (The University of Utah) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 18, 1997 |
Tomography Through the Transport Equation Dimitri Anikonov (Far Eastern Branch Russian Acad. Sci.) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 18, 1997 |
Some Computational Issues in Medical Imaging Gabor Herman (University of Pennsylvania) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 17, 1997 |
The Application of the X-Ray Transform to 3D Conformal Radiotherapy with Dynamic Multileaf Collimators Robert Levine (Lincoln Laboratories) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 17, 1997 |
Image Reconstruction in Optical Tomography S. R. Arridge (University College) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 17, 1997 |
Scattered Radiation in Emission Computed Tomography: Accurate Modeling and Optimum Utilization Harrison Barrett (University of Arizona) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 17, 1997 |
Welcome and Orientation Avner Friedman (University of Minnesota, Twin Cities), Robert Gulliver (University of Minnesota, Twin Cities), Frank Natterer (Westfälische Wilhelms-Universität Münster) |
Computational Radiology and Imaging: Therapy and Diagnostics |

March 13, 1997 |
Software Issues Dennis Gannon (Indiana University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Parallel Object-Oriented Adaptive Mesh Refinement for Hyperbolic Systems Dinshaw Balsara (University of Illinois at Urbana-Champaign) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Data-Parallel Implementations of AMR Tomasz Haupt (Syracuse University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
AMR using HPF Piyush Mehrotra (ICASE/NASA) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Adaptive Mesh Refinement for Multi-Scale Problems John Trangenstein (Duke University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Static and Adaptive Hierarchical Mesh Simulations in Astrophysics Mike Norman (NCSA, UIUC) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Experience with AMR and Numerical Relativity Matthew Choptuik (The University of Texas at Austin) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Adaptive Mesh Refinement for Sharp Fronts and Irregular Geometries Phillip Colella (University of California, Berkeley) |
Structured Adaptive Mesh Refinement Grid Methods |

March 13, 1997 |
Progress, Results and Experience in Developing and Adaptive Solver for Steady-State Turbulent Reacting Flows in Industrial Boilers and Furnaces Michael Pernice (The University of Utah) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
AMR++: And Object-Oriented C++ Library for the Development of Serial and Parallel Adaptive Mesh Refinement Applications Daniel Quinlan (Los Alamos National Laboratory) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
HAMR: The Hierarchical Adaptive Mesh Refinement System Henry Neeman (University of Illinois at Urbana-Champaign) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
RLS: A Parallel Runtime System Library for Atmospheric Models with Nesting John Michalakes (Argonne National Laboratory) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
Compiler Support for Parallel Structured Adaptive Mesh Refinement Codes Keshav Pingali (Cornell University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
Systems Engineering Issues in the Implementation of an Infrastructure for Parallel Structured Adaptive Meshes J.c. Browne (The University of Texas at Austin), Manish Parashar (The University of Texas at Austin) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
Software Abstractions and Computational Issues in Parallel Structured Adaptive Mesh Methods for Electronic Structure Calculations Scott Kohn (Lawrence Livermore National Laboratory) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
The Dynamics of Localized Coherent Structures and The Role of Adaptive Software in Multi-scale Modeling Christopher Myers (Cornell University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
A Hybrid AMR Application for Cosmology and Astrophysics Greg Bryan (Massachusetts Institute of Technology), Mike Norman (NCSA, UIUC) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
AMR: Roadblocks and Buliding Blocks Marsha Berger (New York University) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
Accommodating Adaptivity in Structures vs. Unstructured Grids David Keyes (ODU/ICASE) |
Structured Adaptive Mesh Refinement Grid Methods |

March 12, 1997 |
Welcome and Orientation Scott Baden (University of California, San Diego), Avner Friedman, Robert Gulliver |
Structured Adaptive Mesh Refinement Grid Methods |

January 23, 1997 |
Continuum Mechanics Computations of DNA Cyclization Robert Manning (University of Maryland) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 23, 1997 |
Sites of Superhelical DNA Duplex Destabilization Occur at Specific Regulatory Regions Craig Benham (Mount Sinai School of Medicine, CUNY) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 23, 1997 |
Topological Approaches to Molecular Structure De Witt Sumners (Florida State University) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 23, 1997 |
High-Performance Computation in Biomolecular Modeling L. Ridgway Scott (University of Houston) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 22, 1997 |
A Computational Approach to the Determination of Protein Tertiary Structure Assuming Knowledge of Secondary Structure Richard Friesner (Columbia University) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 22, 1997 |
Geometrical Structures of Large, Confined Ionic Systems Zhijun Wu (Argonne National Laboratory) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 22, 1997 |
Distance Geometry Problems: Global Solutions Jorge More (Argonne National Laboratory) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 21, 1997 |
Parallel Algorithms for Molecular Dynamics Simulations:Particle-Mesh Ewald and rRESPA Steve Plimpton (Sandia National Laboratories) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 21, 1997 |
New Geometric Integrators for Molecular Simulation Benedict Leimkuhler (DAMPT) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 21, 1997 |
Difficulties with Multiple Time Stepping and the Fast Multipole Algorithm in Molecular Dynamics Robert Skeel (University of Illinois at Urbana-Champaign) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 21, 1997 |
Software Demonstration: The Autovisualization Application (AVA) Randy Paffenroth (University of Maryland) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 20, 1997 |
Simulations of protein dynamics: Investigations of conformation change and interactions with small molecules Jan Hermans (University of North Carolina, Chapel Hill) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 20, 1997 |
Molecular Dynamics: An Overview and Recent Work (cont.) Tamar Schlick (New York University) |
Molecular Structure: Dynamics, Geometry, and Topology |

January 20, 1997 |
Molecular Dynamics: An Overview and Recent Work Tamar Schlick (New York University) |
Molecular Structure: Dynamics, Geometry, and Topology |

November 20, 1996 |
Architectures for Data Mining Over Enterprise Intranets Ramasamy Uthurusamy (General Motors Corporation) |
Data Mining and Industrial Applications |

November 20, 1996 |
Developing Industrial Data Mining and Knowledge Discovery Applications: an Overview of Issues Gregory Piatetsky-Shapiro (GTE Laboratories, Inc.) |
Data Mining and Industrial Applications |

November 20, 1996 |
Towards High-Performance Intelligent Systems for Data Modelling Simon Kasif (Johns Hopkins University) |
Data Mining and Industrial Applications |