MSC98

Materials and Process Simulation Center (MSC)

Beckman Institute

CALIFORNIA INSTITUTE OF TECHNOLOGY

(Cosponsored By Industrial Associates of Caltech)

All talks in Beckman Institute Auditorium (134 BI)

THURSDAY, MARCH 26 (Program as of 3/25/98 4:28:12 PM)

 

start

finish

person

title

 

8:00

8:30

registration

coffee, pastries. BI patio

     

Siddharth Dasgupta

Chairman morning session (A)

 

8:30

8:45

Prof. Harry Gray, Director BI

What's New in the Beckman Institute

A1

8:45

9:30

Bill Goddard

New Developments and Exciting Results

A2

9:30

10:00

Derek Debe

Protein Folding

A3

10:00

10:30

N. Vaidehi

Simulations Biological Macromolecules

 

10:30

10:45

break

coffee, pastries

A4

10:45

11:15

Ken Brameld

New Force Fields and Biological Applications

A5

11:15

11:45

Paul Miklis

Dendritic Polymers

A6

11:45

12:15

Mamadou Diallo

Dendrimer Strategies for Environmental Technology

 

12:15

1:15

Lunch (+ posters)

BI patio

         
     

Mario Blanco

Chairman afternoon session (B)

B1

1:15

1:45

Rick Muller

New QM for Applications to Surface Processes

B2

1:45

2:25

Jeremy Kua

Chemisorption on Pt Group Metals

B3

2:25

2:45

Youliang Wang

Hydrocarbon energetics on Pt Group surfaces

B4

2:45

3:15

Siddharth Dasgupta

High Energy Density Material

 

3:15

3:30

break

coffee, soft drinks, pastries

B5

3:30

4:15

Tahir Cagin

Nano- and Mesoscale Simulations

B6

4:15

4:35

Yue Qi

Simulation of Amorphous Metals

B7

4:35

4:55

Hideyuki Ikeda

Simulation of Amorphous Metals

B8

4:55

5:25

Jianwei Che

Frictional Processes on Diamond Surfaces

 

5:25

6:00

Poster viewing

BI patio

         
 

6:00

6:30

No-host bar

Avery House Library (East end of building)

 

6:30

7:30

dinner

Avery House Library

C

7:30

8:30

Dr. Bassil Dahiyat,

CEO Xencor

A Live Business From Stable Proteins Using Dead-End Elimination

 

FRIDAY, MARCH 27 (Program as of 3/25/98 4:28:12 PM)

 

 

start

finish

person

title

 

7:00

8:15

Athenaeum

MSC Board Meeting with breakfast

 

8:00

8:30

Registration

Coffee and pastries, BI courtyard

     

Tahir Cagin

Chairman morning session (D)

 

8:30

8:40

Kevin Doody, head IA

Industrial Associates of Caltech: How we help

D1

8:45

9:30

Mario Blanco

Industrial Activities, Bulk Properties Mixtures

D2

9:30

10:10

Yongchun Tang (Chev.)

Applying Simulations to upstream Petroleum Technology

D3

10:10

10:40

YunHee Jang

Modeling Scale Dissolvers and Wax Inhibition

 

10:40

10:55

break

coffee, pastries

D4

10:55

11:25

Sungu Hwang

Modeling Oil-Mineral Interactions

D5

11:25

11:45

Yanhua Zhou

Wear Inhibitors

D6

11:45

12:15

Michael Belmares

Glass Temperatures in Polymers

 

12:15

1:15

Lunch (+ posters)

BI courtyard

         
     

Rick Muller

Chairman afternoon session (E)

E1

1:15

1:45

Ersan Demiralp

Modeling Glasses and Ceramics

E2

1:45

2:15

Jan Sefcik

Modeling Zeolites and catalysts

E3

2:15

2:35

Osamu Kitao (NIMC)

Force Field and Hydrophilicity of Aluminophosphate Zeolite

E4

2:35

3:00

Dan Mainz

Poisson Boltzmann Implicit Solvent for QM and MD

 

3:00

3:15

break

coffee, pastries

E5

3:15

3:50

Cecco Faglioni

Catalysis

E6

3:50

4:25

Jason Perry

Kinetics for Gasoline Reforming and Gas Oil Hydrocracking

E7

4:25

4:45

Bill Goddard

Closing Remarks

 

Posters (on display from noon on Thursday March 26 though 2pm on March 27)

 

person

title

P1

Matt Carlson

Protein Prediction Toolkit

P2

Joyce Peng

Secondary Structure Propensities

P3

Ryan Martin

CCBB Monte Carlo for Building Polymers

P4

Guofeng Wang

Interface for Building Polymers

P5

Lu Sun

Simulation of High Energy Materials Under Shock

P6

Hao Li

MPSim

P7

Georgios Zamanakos

NEIMO

P8

Ersan Demiralp

New results on the Mechanism for Organic Superconductors

P9

Seijit Tsuzuki (NIMC)

ab initio FF for methane

P10

Maria Hui

MPSim MD on Windows NT

P11

Eugene Heifets

Simulations of the Si/SiO2 Interface

P12

Yuzuru Sato (Seiko-Epson)

Simulations of the Si/SiO2 Interface

P13

Chris Brandow

Metallocene Polymerization Catalysts

P14

Chris Kankel

Ru Metathesis Catalysts

P15

Darryl Willick

MSC Network and Computers

P16

Jim Kendall

AVS and SGI Explorer

P17

Hideki Takehara

QSAR for Selectivity of _

P18

Jason Perry (Schrodinger)

Jaguar, for QM on Very Large Systems

P19

Garegin Papcian (Cornell)

Why the Heavier Late Main Group Elements tend to be Metallic