Sunday, October 26th
16:00 Start of registration
19:00 Welcome reception
Monday, October 27th
08:00 Breakfast
08:40 Opening: Organizers
Magnetic and lattice excitations I
08:45-09:45 Igor A. Abrikosov (Linköping University, Sweden): Recent progress in simulations of paramagnetic state of magnetic materials
10:00-10:30 Vsevolod I. Razumovskiy (Materials Center Leoben Forschung, Austria): Thermodynamic and kinetic properties of paramagnetic iron and steel: Spin Wave method and Disordered Local Moment model calculations
10:35 Coffee
11:00-12:00 Fritz Körmann (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Phase stabilities of metals and steels - The impact of magnetic excitations from first-principles
12:30 Lunch
Magnetic and lattice excitations II
14:00-15:00 Isao Tanaka (Kyoto University, Japan): Phase transition by first principles lattice dynamics calculations
15:15 Coffee
15:45-16:45 G. Malcolm Stocks (Oak Ridge National Laboratory, USA): Towards Combined Spin and Molecular Dynamics of Iron and its Alloys: What does it take and what can we do?
17:00-18:00 Pui-Wai Ma (Culham Centre for Fusion Energy, Oxfordshire, UK): Magnetic dynamics and thermodynamics of iron and iron-based alloys
18:15 Flash poster session
18:30 Dinner
20:00 Poster session
Tuesday, October 28th
Theory meets experiment
08:00 Breakfast
08:45-09:45 Ingrid Mertig (MPI für Mikrostrukturphysik, Halle, Germany): Magnetoelectric coupling at multiferroic interfaces
10:00-10:30 Mojmir Sob (Masaryk University, Brno, Czech Republic): Effect of segregation of sp-impurities on surface and grain boundary magnetism in nickel, cobalt and iron: Theory and experiment
10:35 Coffee
11:00-12:00 Veronique Pierron-Bohnes (IPCM Strasbourg, France): Coupling of magnetism and structure in metals and alloys
12:30 Lunch
Coarse-grained methods
14:00-15:00 Hakim Amara (ONERA-CNRS, Chatillon, France): Tight-binding model for transition metal carbides
15:15-15:45 Ralf Drautz (ICAMS, Ruhr-Universitat Bochum, Germany): Magnetic analytic Bond-Order Potentials: Application to Fe, Mn and Fe-C
15:50 Coffee
16:10-16:40 Matous Mrovec (Institut für Werkstoffmechanik, Freiburg, Germany): DFT-free simulations of extended defects in iron using magnetic bond order potential: Advantages and limitations of coarse graining
16:45-17:45 Christian Elsässer (Institut für Werkstoffmechanik, Freiburg, Germany): Search for substitutes of magnetic materials containing critical elements by high-throughput screening and multi-scale modelling approaches
18:00-18:30 Levente Vitos (KTH Stockholm, Sweden): Going beyond SFE in alloy steel design
18:30 Dinner
20:00 Discussions in Witches Room
Wednesday, October 29th
Methodological developments I
08:00 Breakfast
08:45-09:45 Mikhail I. Katsnelson (Radboud University Nijmegen, The Netherlands): Exchange interactions and itinerant-electron magnetism
10:00-10:30 Ivan Bleskov (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Impact of local magnetism on stacking fault energies: An ab initio investigation for fcc iron
10:35 Coffee
11:00-12:00 Julie B. Staunton (University of Warwick, UK): First principles theory of magnetism at finite temperature in iron alloys: fluctuating local moments, itinerant electrons and metamagnetism
12:30 Lunch
13:15 Excursion
18:30 Dinner
Magnetocaloric materials
20:00-21:00 Peter Entel (Universität Duisburg-Essen, Germany): Exotic magnetic behavior of Heusler alloys: From spin and strain glasses to metamagnetic phase transitions
21:15-21:45 Mikhail Zagrebin (Chelyabinsk State University, Chelyabinsk, Russia): First principles investigation of structural and magnetic properties of Fe-Ni-Mn-Al Heusler alloys
Thursday, October 30th
Point defects and diffusion
08:00 Breakfast
08:45-09:45 Chu-Chun Fu (CEA Saclay, France): Impact of magnetic frustrations on defect properties in Fe-Cr alloys
10:00-10:30 Sergiy V. Divinski (University of Münster, Germany): Bulk and short-circuit diffusion in α-Fe: effect of magnetic transition
10:35 Coffee
11:00-12:00 Frederic Soisson (CEA Saclay, France): Impact of magnetism on the kinetics of precipitation and segregation in ironchromium alloys: A Monte Carlo simulation
12:30 Lunch
14:00-15:00 Marcel H.F. Sluiter (Delft University of Technology, The Netherlands): Modelling diffusion of substitutional impurities in bcc Fe
15:15 Coffee
The iron-carbon system
15:45-16:45 Andrei Ruban (Royal Institute of Technology, Stockholm, Sweden): Martensitic transformation in steels and carbon ordering: a first-principles-based atomistic modeling
17:00-17:30 Yuri N. Gornostyrev (Inst. Quantum materials Science, Ekaterinburg, Russia): The key role of magnetism in a scenario of phase transformations in steel
17:35-18:05 Xie Zhang (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Atomistic origin of structural modulations in Fe ultra-thin films and impact for
structural transformations in Fe-C alloys
18:10 Closing remarks: Mike Finnis
18:30 Conference dinner
Friday, October 31th
08:00 Breakfast
09:00 Departure