George Mason University

  Workshop 2008

Computational methods in molecular and solid-state systems

Student workshop

Computational Materials Science Center (CMaSC) at George Mason University announces a "Computational methods in molecular and solid-state systems" workshop. This intensive oneday workshop is designed for upperclass undergraduate and graduate students interested in computational chemistry in general and co mputational aspects of material and biomolecular science in particular. The workshop will cover basic theoretical approaches, techniques and computational tools for analysis of crystalline materials, mine rals, nanomaterials and biomolecular systems. Machine learning and artificial intelligence methods, co mputational geometry of molecular and supramolecular structure, and molecular visualization will be am ong the workshop focus areas. The workshop will be conducted using state-of-the-art training facilitie s at the George Mason University. It will consist of lectures and hands-on computer laboratory session s. Students will acquire knowledge of fundamental principles as well as practical skills necessary to use modern computational tools and machine learning techniques in material science, nanotechnology and computational chemistry applications.

When: May 16, 2008, 10:00AM-3:00PM (lunch will be provided)

Where: Innovation Hall, George Mason University
Registration for the workshop is free. Applications, including name, address, school, major and class level should be sent by e-mail to ivaisman@gmu.edu not later than May 6, 2008. Accepted participants will be notified by May 9, 2008. Women and students from the underrepresented minority groups are encouraged to apply. The workshop is sponsored by a grant from the National Science Foundation. Upon successful completion of the workshop all participants will receive a certificate.

Workshop organizers:

Dr. Iosif Vaisman and Dr. Estela Blaisten-Barojas
Computational Materials Science Center (CMaSC)
George Mason University
MSN 6A2 Fairfax, VA 22030

George Mason University

Computational Materials Science Center (CMaSC)

Computational methods in molecular and solid-state systems

Student workshop Friday, May 16, 2008, 10:00AM-3:30PM
Room 318, Innovation Hall
Fairfax Campus.

Schedule




10:00-10:10  Introduction (Estela Blaisten-Barojas)
10:10-10:50  Computational geometry of molecular structure (Iosif Vaisman)
10:50-11:20  Computational analysis of mineral structure (Shujiang Yang)
11:20-11:50  Structure visualization (Mohammed Lach-Hab and Daniel Carr)
11:50-12:30  Lunch break
12:30-  2:30  Machine learning methods (Majid Masso)
  2:30-  3:30   Crystallographic and bioinformatics structure analysis in macromolecular complexes (Eugene Krissinel)
Jmol: 3 D structure




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