IUCr XVII Abstract Listing for session 03.06

Session Chair: John M. Newsam
Solid State
Biosym Technologies, Inc
9685 Scranton Road
San Diego CA 92121
Phone: 619 546 5391
Fax: 619 458 0136
jmnewsa@biosym.com

Program Contact: P. Bourne
San Diego Supercomputer Center
PO Box 85608
San Diego CA 92186-9784
FAX 619 534 5113
bourne@sdsc.edu

(E1212) MS03.06.01
Date: Friday, August 16, Time: 3:30 - 4:00, Room: 611
STRUCTURE PREDICTION
Clive M. Freeman , Alan M. Gorman and Steve M. Levine
clive@biosym.com

(E0637) MS03.06.02
Date: Friday, August 16, Time: 4:00 - 4:20, Room: 611
CONVENTIONAL DESCRIPTIONS OF NEW PHASES FROM RESULTS OF HIGH PRESSURE INORGANIC STRUCTURE MODELLING
Y. Le Page , D. D. Klug and J. S. Tse
yvon.le_page@nrc.ca

(NONE) MS03.06.03
Date: Friday, August 16, Time: 4:20 - 4:50, Room: 611
CALCULATION AND PREDICTION OF MOLECULAR STRUCTURES
Martin U. Schmidt

(E0905) MS03.06.04
Date: Friday, August 16, Time: 4:50 - 5:10, Room: 611
MODELING MATERIALS WITH SYMMETRY
Christoph M. Koelmel
ckoelmel@biosym.com

(E1315) MS03.06.05
Date: Friday, August 16, Time: 5:10 - 5:40, Room: 611
FIRST PRINCIPLES SIMULATION OF OXIDE MATERIALS
Nicholas M. Harrison
n.harrison@dl.ac.uk

(E1377) MS03.06.06
Date: Friday, August 16, Time: 5:40 - 6:00, Room: 611
COMPUTER MODELLING OF DEFECTS IN INORGANIC MATERIALS
Robert A. Jackson
cha41@cc.keele.ac.uk

(E0795) PN03.06.07
Date: Not Yet Assigned, Time: Not Yet Assigned, Room: Not Yet Assigned
MODIFICATION OF FINNIS-SINCLAIR POTENTIAL TO ACCOUNT FOR SURFACE EFFECT
Z. Kaszkur
zbig@ichf.edu.pl

(E0805) PS03.06.08
Session: IV, Board: 008, Room: Not Yet Assigned
"AKIRA" AN EXPERT SYSTEM TO PREDICT CRYSTAL STRUCTURES
Masahiko Hosoya , Hiroya Chinen and Makoto Nakamoto.
hosoya@sci.u-ryukyu.ac.jp

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