Symposium Program
- 9:30 Registration in School of Chemistry museum
I. Chair: Dr. Carole Morrison, University of Edinburgh
- 10:25 - Welcome and Announcements
- 10:30 - Prof. Jonathan Hirst, University of Nottingham: "Computing Biomolecular Interactions"
- 11:20 - Dr Julien Michel, University of Edinburgh: "Water molecules in protein-ligand interactions, consequences for drug design"
- 11:40 - Presentation from Streamline Computing
- 12:00 - Lunch in museum
II. Chair: Dr. Julien Michel, University of Edinburgh
- 13:00 - Dr Matthew Farrow, University of Edinburgh: "Molecular simulations exploring kinetic-friction modification in complex automotive fluids"
- 13:20 - Alexander Whiteside, Heriot-Watt University: "Radical Ammonium: from Proton Transfer to Electronegativity"
- 13:40 - Joshua Muir, Aberdeen university: "The Interaction of Amino Acids with Model Surfaces: Cystiene on TiO2 (110)"
- 14:00 - Dr Grant Hill, University of Glasgow: "The basis set problem and F12 methods: Recent advances"
- 14:20 - Lukasz Serafin, University of St. Andrews: "CCSD(T)-F12 calculations of isomerisation in small substituted disilicon molecules."
- 14:40 - Tea in museum
III. Chair: Dr. Patricia Richardson, University of Edinburgh
- 15:00 - Dr Goetz Bucher, University of Glasgow: "π*,σ* Triplet Excited States: Existence, Reactivity, and Relevance"
- 15:20 - Dr John Griffin, University of St Andrews: "Insight into Structure and Disorder in Hydrous Wadsleyite by First-Principles Calculations and Solid-State NMR"
- 15:40 - Daniel Cannon, University of Strathclyde, "Solving the Secrets of Synergic Synthesis"
- 16:00 - Zibo Keolopile, Heriot-Watt University, "Two-photon absorption in porphycenic Macrocycles"
- 16:20 - Dr Nahoum Anthony, University of Strathclyde, "On the discovery of allosteric sites using Molecular Dynamics and protein topology"
- 16:40 - Poster session and wine reception in museum
- 18:00 - Symposium ends
Generously sponsored this year by:
