Computational Modelling Group

Past Events related to Xmgrace

Below are the events that have been offered though the CMG in the past.

May 2013

10th May 4:00 p.m.

'Computational Photochemistry in Action: Charges, Crossings and Control

March 2013

8th March 4:00 p.m.

The End of Atomistic Simulation?

August 2012

10th August 2:00 p.m.

Molecular simulation approaches to immunological recognition and regulation

March 2012

16th March 2:00 p.m.

Theory and Simulation of Biomolecular Systems: Surmounting the Challenge of Bridging the Scales

December 2011

13th December 2:00 p.m.

Analyzing biomacromolecular flexibility by constraint counting

November 2011

22nd November 10:00 a.m.

Modelling the Solid State: From oxygen storage capacity to transparent semiconductors

May 2011

20th May 3:30 p.m.

What is Wrong with Density Functional Theory?

13th May 3:30 p.m.

Molecular modeling - now fun and colorful!

March 2011

22nd March 4:00 p.m.

Computational biochemistry: understanding biomolecular mechanisms by modelling