Computational Materials Science Center (CMaSC) and Laboratory for Structural Bioinformatics at George Mason University announce 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 computational aspects of material and biomolecular science in particular. The workshop will cover basic theoretical approaches, techniques and computational tools for analysis of crystalline materials, minerals, nanomaterials and biomolecular systems. Machine learning and artificial intelligence methods, computational geometry of molecular and supramolecular structure, and molecular visualization will be among the workshop focus areas.
The workshop will be conducted using state-of-the-art training facilities at the George Mason University. It will consist of lectures and hands-on computer laboratory sessions. 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 am – 3 pm (lunch will be provided)
Where: Innovation Hall, Room 318, 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
Preliminary schedule
| 10:00 - 10:10
10:10 - 10:50 10:50 - 11:20 11:20 - 11:50 11:50 - 12:30 12:30 - 2:30 2:30 - 3:30 |
Introduction (E.Blaisten)
Computational geometry of molecular structure (I.Vaisman) Computational analysis of mineral structure (S.Yang) Structure visualization (M.Lach-Hab) Lunch break Machine learning methods (M.Masso) Crystalographic and bioinformatic structure analysis in macromolecular complexes (E.Krissinel) |
Tessellation
Zeolites
Visualization
Machine Learning