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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 27: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials III (joint session O/MM/DS/TT/CPP)

Dienstag, 13. März 2018, 10:30–13:00, HL 001

Organizers: Silke Biermann, Ecole Polytechnique, Palaiseau cedex, France; Paul R. Kent, Oak Ridge National Laboratory, USA; Matthias Scheffler, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

(Synopsis provided with part I of this session)

	10:30	CPP 27.1	Control and prediction of molecular crystal properties by multilevel strategies — •Jan Gerit Brandenburg
	11:00	CPP 27.2	Advances in first-principles and model spin Hamiltonian simulations of point defects in semiconductors for quantum sensors and computing — •Viktor Ivády
	11:30	CPP 27.3	Recent advances in first-principles modelling of correlated magnetic materials — •Yaroslav Kvashnin
	12:00	CPP 27.4	A first-principles approach to hot-electron-induced ultrafast dynamics at metal surfaces — •Reinhard J. Maurer
	12:30	CPP 27.5	Temperature effects in spin-orbit physics from first principles — •Bartomeu Monserrat