Psi-k - Ab initio (from electronic structure) calculation of complex processes in materials


Ψk Workshops 1999 Programme

MATERIALS UNDER PRESSURE: FROM ICES TO METALS

Thursday 17 December 1998

10:00 10:30 Coffee
10:30 11:15 Review Talk Metals (Theory): Borje Johansson (Uppsala)
11:15 11:45 Discussion
11:45 12:15 Rajeev Ahuja (Uppsala): Structural Phase Transitions in Alkali metals, Alkaline earth metals and Alkali Hydrides and Halides
12:15 12:30 Discussion
12:30 14:00 Lunch
14:00 15:45  Malcolm McMahon (Edinburgh): X-ray diffraction studies of alkaline and lanthanide metals at high pressure
14:45 15:15 Discussion
15:15 15:45  Helmut Olijnyk (Oxford): Vibrational spectroscopy of metals and molecular crystals at high pressure
15:45 16:00 Discussion
16:00 16:30 Coffee
16:30 17:00 Axel Svane (Aarhus): Self-interaction corrections in the electronic structure theory of lanthanides
17:00 17:15 Discussion
17:15 17:45 Karl Syassen (Stuttgart) New crystal structures of elemental metals under pressure
17:45 18:00 Discussion
18:00 19:00 Visit to SR
19:30 Conference Dinner

Friday 18 December 1998

9:00  9:45 Dominik Marx (Stuttgart) Ab Initio Simulations of Materials under High Pressure
9:45 10:15 Discussion
10:15 10:45 Stewart Clark (Durham) High pressure structure of methanol and ethanol
10:45 11:00 Discussion
11:00 11:30 Coffee
11:30 12:15 John Finney (UCL) Structures, disorder, and metastability in ices at medium pressures
12:15 12:45 Discussion
12:45 13:45 Lunch
13:45 14:30 John Loveday (Edinburgh) High-pressure structural studies of ice and ices
14:30 14:45 Discussion
14:45 15:15 Martin Dove (Cambridge) High-pressure behavior of minerals
15:15 15:30 Discussion
15:30 16:00 David Sherman (Bristol) Chemical bonding and Electronic transitions in the Earth's Deep interior
16:00 16:15 Discussion
16:15 Coffee and Discussion on Future Meetings