Venue: Heriot Watt University
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9:30 Registration in the HWU Postgraduate Centre
Session I. Chair: Prof Michael Bühl
10:25 – Opening Remarks, Prof. Alan Miller, Deputy Principal (Research & Knowledge Transfer)
10:30 – Prof. Chick Wilson, University of Glasgow
Combining Experiment and Computation in the Study of Structural Evolution of Molecular Materials
11:00 – Dr Sarah Masters, University of Edinburgh
What is going on? How theory helps us understand our experimental observations!
11:30 – Dr Jos Koetsier, Rapid
Rapid: giving computational science a friendly face
12:00 – Lunch
Session II. Chair: Prof John McGrady
13:00 – Prof. Stuart Macgregor, Heriot-Watt University
Adventures in C-H Activation
13:30 – Dr John Mitchell, University of St. Andrews
Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle
14:00 – Flash presentations
14:30 – Tea
Session III. Chair: Dr Carole Morrison
15:00 – Dr. Tell Tuttle, University of Strathclyde
Averaging Semiempirical NMR Chemical Shifts – Dynamic Effects on the Sub-picosecond Timescale
15:30 – Flash presentations
16:00 – Closing Remarks
16:10 – Posters and wine