Programme

Sunday, April 29th

16:00  Start of registration

19:00  Welcome reception

Monday, April 30th

09:15-10:15  Igor Abrikosov:   Ab initio simulations of paramagnetic state: effects of temperature and electron correlations

11:00-12:00  Andrei Ruban:   Effect of magnetic short-range order on properties of Fe and its alloys

14:15-15:15  Stefan Müller:   Correlations between thermodynamical and electronic properties in functional materials

16:00-17:00  Subhradip Ghosh:   The Itinerant Coherent Potential Approximation

17:15  Flash poster session

20:00  Poster session

Tuesday, May 1st

08:45-09:45  George Smith:   Atom probe tomography study of 3-d nanoscale chemistry of steels

10:00-10:30  Andreas Leineweber:   Elastic anisotropy of some iron carbides

11:00-12:00  Marcel Sluiter:   Ab initio computation of solubility product of NbC in low alloyed ferritic steel

14:15-15:15  Dario Alfè:   Complementary approaches to high temperature-high pressure crystal structure stability and melting

16:00-17:00  Blazej Grabowski:   Ab initio prediction of materials properties up to the melting point

17:15-18:15  Tilmann Hickel:   The influence of magnetic excitations on the phase stability of metals and steels

20:00-20:30  Adrian Sutton:   New physics in atomic channelling

20:35-21:05  Eunan McEniry:   Beyond Slater-Koster: environmental tight-binding of nickel and cobalt

21:10-21:40  Gabor Csanyi:   Gaussian Approximation Potential for metals

Wednesday, May 2nd

08:45-09:45  Frédéric Soisson:   Kinetic Monte Carlo simulations of diffusive phase transformations in iron based alloys

10:00-10:30  Roman Nazarov:   Thermodynamics and kinetics of H interaction with vacancies in fcc metals

11:00-12:00  Daniel Mason:   On-the-fly kinetic Monte Carlo

20:00-20:30  Jutta Rogal:   Solid-liquid interface free energies and structural phase transformations

20:35-21:05  Chris Race:   The kinetics of grain boundary migration in molecular dynamics

Thursday, May 3rd

08:45-09:45  Sergei Dudarev:   Applied models for iron-based alloys

10:00-10:30  Stefaan Cottenier:   The ground state elemental crystals as a benchmark

11:00-12:00  Bengt Hallstedt:   How to do a Calphad assessment

14:15-15:15  Zi-Kui Liu:   Advancing the Materials Genome

15:30-16:00  Sergey Okatov:   Ab-initio investigation of point defects formation energy in paramagnetic iron and cementite

16:40-17:10  Ivan Leonov:   Temperature evolution of phonon spectra of elemental iron near the α-γ phase transition

17:15-18:15  George Malcolm Stocks:   Fundamental studies of defect formation and evolution

Friday, May 4th

09:00 Departure