CISC will be hosting a series of tutorials on intensive scientific computing during March and April of Spring 2019. Tutorials will span over two separate lunches in the form of a one hour lecture and a one hour hands-on workshop session. This format allows attendees to learn and explore the the topics covered by the speaker.
All lectures and workshops will be held 12:45-1:45pm and lunch will be provided.
High Performance Computation Platform for Phononic Crystals
Ankit Srivastava: Mechanical, Materials, & Aerospace Engineering
March 13 Lecture, April 2 Workshop
Introduction to phononic crystals, phononic band structure computation methods, and 3D topology optimization for phononic crystal lattices.
Introduction to Computing Sharing Resources at IIT
Grigoriy Abramov: OTS System Administrator for the Research Data Center
April 4 Lecture, April 11 Workshop
Introduction to Computing Sharing Resources at IIT, available computing resources, and access requirements.
Molecular Docking Principles and Applications
David Minh: Chemistry
April 3 Lecture, April 10 Workshop
I will introduce the computational biochemistry technique known as molecular docking. Molecular docking is used to predict where and how tightly a small organic molecule binds to a receptor, usually a protein. I will describe the reasons that biochemists use docking software, the theoretical principles it is based on, and optimization algorithms found in popular docking packages. In the hands-on session, we will set up and run a docking calculation using AutoDock, a free and popular molecular docking program. If you have an application of interest, you are encouraged to bring it to the workshop. The workshop is intended both for biologists and chemists interested in applying docking programs and for applied mathematicians and computer scientists who may be interested in developing it.