MSC2000 Program

  Name Institution Type Time Title
  Morning Thursday March 23, 2000   Beckman Institute Auditorium(134-74)    
8:00 Registration BI Courtyard     Coffee, Rolls
8:30 Caltech Official #1 Caltech Talk 15 Introduction to Caltech
  William A. Goddard MSC Talk 30 The First Decade of the Materials and Process Simulation Center
  Nagarajan Vaidehi MSC Talk 30 Recent Advances in Simulation of Biological Processes and Bioengineering at the MSC
  Wely Floriano MSC Talk 20 First principles predictions of the structure and activity of Olfactory Receptors
  Derek Debe MSC Talk 25 First principles predictions of the rates for protein folding
10:30 Break BI Courtyard      
10:45 Joe Danzer MSC Talk 25 First principles predictions of protein tertiary structures
  Osamu Kitao NIMC,Tsukuba, Japan Talk 20 Theoretical Studies of Electron Transfer at Photosynthetic Reaction Centers
  John Wendell MSC Poster 5 Computational Approaches to Combinatorial Pharmaceutical Chemistry
  Barry Olafson MSC Poster 5 Predictions of relative binding to MHC
  Changmoon Park MSC Poster 5 First principles predictions of the preferences for secondary structure
  Yi Tang/Vaidehi MSC/Chem. Eng. (Tirrell) Poster 5 Predictions and experiment on modified leucine zipper proteins for artificial gels
  Pin Wang/Vaidehi MSC/Chem. Eng. (Tirrell) Poster 5 New Non-natural amino acids for Protein Engineering
  Hanna Rapaport/Tahir Chem. Eng. (Tirrell) Poster 5 Bioengineering with beta sheet structures
  Georgios Zamanakos MSC/Biology Poster 5 Stability of beta sheet polyglutamine repeats in neurodegenerative diseases
  Nagarajan Vaidehi MSC Poster 5 Bionanotechnology: Design of self assembling rigid DNA units
  Larry Sowers/Jang City Hope Poster 5 Experimental and QM studies of the origin of chemical mutagenesis
  Jack Shively/Jang City Hope Poster 5 Experimental and QM studies of molecules for radiochemotherapy
  Deepshika Datta MSC/Children's Hospital Poster 5 Design of Inhibitors for E.coli invasion of the Brain microvascular Endothelial Cells
  Matt Carlson MSC Poster 5 The BUFF Force field for proteins
  Felipe Jimenez/Blanco Loma Linda U. Poster 5 Scallop Abductin Translates Hydrophobicity to Elasticity
  Eugene Roberts/Floriano City Hope Poster 5 Design of lead antagonists for glucocorticoid receptor for transcriptional regulation
  Changmoon Park/Blanco MSC Poster 5 Improved Cavity terms for solvation calculations
  Robert (Smith) Nielsen MSC Poster 5 Atomistic Models of Hydrodesulfurization Catalysis over Co/MoS2
  Chip Kent/Feldmann MSC Poster 5 Quantum Monte Carlo Quantum Chemistry - New developments at the MSC
  Darryl Willick/Ryan Martin MSC Poster 5 MSC Computers
  David Valenta/Dick Peake HP Poster 5 The HP-V class
  John Thornley/Muller U. Virginia Poster 5 New Parallelization tools for NT/PC architectures applied to QM and MD
  Kozo Aoki NIMC,Tsukuba, Japan Poster 5 Theoretical Studies on Photoinduced Electron Transfer at Dye Synthesized Solar Cells
12:40 Lunch, Poster Session BI Courtyard      
           
  Afternoon Thursday March 23, 2000   Beckman Institute Auditorium(134-74)    
13:40 Daniel Mainz MSC Talk 20 Solvation in Molecular Dynamics and Quantum Chemistry
  Rick Muller MSC Talk 25 Recent Advances in Quantum Chemistry: application to CVD of amorphous Si
  Dean Phillipp MSC Talk 30 Mechanism and Modeling of Brookhardt-type polymerization Catalysts
  Cecco Faglioni MSC Talk 30 Mechanism for the Karstedt Catalized Hydrosilylation Reaction
15:25 Break BI Courtyard      
  Jeremy Kua MSC Talk 30 Mechanistic Insights into the Periana/Catalytica CH4 to CH3OH catalyst
  Yongchun Tang PEER Talk 25 C1 Catalysis for Gas to Liquid: a joint Project at PEER/MSC
  Yun Hee Jang MSC Talk 25 Selective (Amm)Oxidation of Propene on Bismuth Molybdates
  Rick Muller MSC Talk 25 Mechanism of the Grubbs Ru-Carbene Metathesis Catalyst
  Adri Van Duin U. Newcastle/MSC Talk 25 A new reactive FF for hydrocarbons and all-carbon materials
  George Vacek Schrodinger Talk 25 New Technology for Quantum and Classical Simulations (Jaguar, Macromodel, and Maestro)"
  Quan Hua Chen Hong Kong U. Talk 20 Localized-Density-Matrix Method and Its Applications
18:20 Finish for day        
18:00 Dinner Athenaeum     serve at 18:30
19:30 After Dinner Speaker Athenaeum Talk 60 biological synthesis of novel polymer systems.
20:30 finish        
  Morning Friday March 24, 2000   Beckman Institute Auditorium(134-74)    
7:00 MSC Advisory Board Athenaeum     Breakfast Meeting
8:00 Registration BI Courtyard     Coffee, Rolls
8:30 Caltech Official #2 Caltech Talk 15 Introduction to Caltech
  Yongchun Tang Chevron/PEER Talk 30 The Petroleum Energy and Environment Research Center at Caltech: Goals and activities
  Mario Blanco MSC Talk 30 Ab initio Thermodynamics with Applications to Molecular Sensor Design
  Peter Meulbroek MSC Talk 25 Chemical inputs into oil basin modeling
  Mamadou Diallo MSC/Howard Talk 25 Structure and properties of asphaltenes from MD and experiment
10:45 Break BI Courtyard      
11:00 Debashis Chakraborty MSC Talk 30 Detonation Chemistry of High Explosives (HMX and RDX)
  Yanhua Zhou MSC Poster 5 MD studies of corrosion and wear inhibitors
  Hiroshi Yamamoto Asahi Glass Poster 5 Web based tools for predicting properties of molecules and polymers
  Weiqiao Deng MSC Poster 5 Hexagonal GaN Growth and Reconstruction
  Eugene Heifets MSC Poster 5 Shell model studies of perovskite surfaces
  Yuzuru Sato/Heifets Epson Poster 5 Modeling of the SiO2/Si interface
  Georgios Zamanakos MSC Poster 5 Mesoscale description of dendritic polymers
  Qingsong Zhang MSC Poster 5 Ferroelectric Materials
  Sandeep Sane/Caldwell Aero/Caltech Poster 5 Dynamical properties of polymers
  Siddharth Dasgupta MSC Poster 5 New FF for Energetic Materials
  Ioana Cozmuta MSC Poster 5 Modeling Radon diffusion through concrete
  Michael Doyle MSI Poster 5 MSI activities on Formulations/Informatics and the NT Based Simulations
  Jiabo Li private Poster 5 VB2000: The best of GVB and CASCF in a fast simple package
  Hyon-Jee Lee MSC/Materials Science Poster 5 MD simulation of supercooled liquids and glasses
  Yue Qi MSC Poster 5 Melting of metal drops
  Lunch and Poster Session BI Courtyard      
12:35          
  Afternoon Friday March 24, 2000   Beckman Institute Auditorium(134-74)    
13:35 Gregg Caldwell MSC Talk 30 Equation of State structures of polymers (Estain and Kel-F to Fluorinated acrolates)
  Tahir Cagin MSC Talk 30 The MSC strategies in materials and mesoscale simulations
  Alejandro Strachan MSC Talk 30 First principles FF for Ta; the nanoscale description of spallation failure
  Guofeng Wang MSC Talk 25 Molecular Dynamics Simulations of 1/2a<111> Screw Dislocation in Ta
15:30 Break BI Courtyard      
15:45 Yue Qi MSC Talk 20 Dislocations energetics and dynamics in fcc materials
  Jianwei Che MSC Talk 25 The thermal conductivity in nanostructures; Simulation of nanostructured diamond
  Mike Gardos Raytheon Talk 25 Chemically based strategies in tribology
  Gyeong Hwang MSC Talk 25 Mesoscale description of B diffusion in Si
  Dave Rigby MSI Talk 25 MSI consortia and technology
  Siddharth Dasgupta MSC Talk 15 Wrap Up
18:00 Finish        
18:30 Dinner WAG's house     950 Arden Road, 0.9 miles from BI auditorium. Serve at 18:30


Last Updated on 3/13/00
By Dr. William Goddard