Program. 09:10 09:40 Silke Biermann Ab initio calculations for correlated electron materials in the 21 st century
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1 Sunday, October 29, :00 21:00 Registration 18:00 DINNER Monday, October 30, :00 09:10 Organizers Introduction Chair: Roser Valenti 09:10 09:40 Silke Biermann Ab initio calculations for correlated electron materials in the 21 st century 09:40 09:50 Discussion 09:50 10:20 Alexander Lichtenstein Realistic many-body approach to materials with strong nonlocal correlations 10:20 10:30 Discussion 10:30 10:50 Stephen Winter Dynamics of Kitaev magnets: From ab-initio to experiments 10:50 10:55 Disscussion 10:55 11:20 COFFEE BREAK
2 Monday, October 30, 2017 Chair: Bernhard Keimer 11:20 11:50 James Allen DFT, DMFT and ARPES: Quest for convergence on hard problems 11:50 12:00 Discussion 12:00 12:30 Ole Krogh Andersen The Q-representation; do electronic correlations make the Fermi surface of CaVO3 more cubic? 12:30 12:40 Discussion 12:40 Conference Photo (in the front of the lecture hall) 12:50 LUNCH Chair: Igor I. Mazin 14:30 15:00 Ryotaro Arita Cluster multipole theory for functional antiferromagnets 15:00 15:10 Discussion 15:10 15:40 Ferdi Aryasetiawan Reinterpretation of spectral functions of correlated materials according to self-consistent GW+DMFT 15:40 15:50 Discussion 15:50 16:20 Josef Kudrnovsky A unified approach to physical properties of complex solids 16:20 16:30 Discussion 16:30 17:00 COFFEE BREAK Chair: Tanusri Saha Dasgupta 17:00 18:30 Oral teasers (2 min/poster) 19:00 DINNER
3 Tuesday, October 31, 2017 Chair: Giovanni B. Bachelet 09:00 09:30 Alessandro Toschi Dynamics of the magnetic moments in correlated metals: The case of Fe and Ni from ambient to Earth s core conditions 09:30 09:40 Discussion 09:40 10:00 Sergey Streltsov FeO 2 : a possible novel magnetic constituent of Earth's lower mantle 10:00 10:05 Discussion 10:05 10:35 Vaclav Drchal Fluctuating magnetic moments in the Earth s core 10:35 10:45 Discussion 10:45 11:10 COFFEE BREAK Chair: Ole K. Andersen 11:10 11:40 Eva Pavarini Understanding strongly correlated Ruthenates - spin-orbit and tetragonal coulomb tensor effects 10:40 11:50 Discussion 11:50 12:20 Maurits Haverkort Dynamics and correlation functions in complex quantum materials 12:20 12:30 Discussion 12:30 LUNCH
4 Tuesday, October 31, 2017 Chair: Lilia Boeri 14:30 15:00 Sashi Satpathy Doping and strain effects on the electronic structure of the strong spinorbit coupled Iridate Sr2IrO4 15:00 15:10 Discussion 15:10-15:40 Indra Dasgupta Spin orbit induced emergent magnetic phases in Iridium based oxides 15:40 15:40 Discussion 15:50 16:20 Markus Aichhorn Spin-orbit coupling and strong correlations: From materials to models 16:20 16:30 Discussion 16:30 18:30 COFFEE and posters 18:30 DINNER
5 Wednesday, November 1, 2017 Chair: Ali Alavi 09:00 09:30 Paul J. Kelly Finite temperature spin transport from fully relativistic scattering theory 09:30 09:40 Discussion 09:40 10:10 Vladimir Antropov Spin fluctuations and their influence on the electronic structure of metals 10:10 10:20 Discussion 10:20 10:40 Geoffroy Hautier Finding the needle in the haystack: Materials discovery through highthroughput ab initio computing and data mining 10:40 10:45 Discussion 10:45 11:10 COFFEE BREAK Chair: Michele Parrinello 11:10 11:40 George Albert Sawatzky Atomic correlation contributions to the effective mass, band gaps and bond lengths in transition metal and rare earth compounds 10:40 10:50 Discussion 11:50 12:20 Ali Alavi Quantum chemistry approaches to spin energetics in cuprates and porphyrins 12:20 12:30 Discussion 12:30 LUNCH
6 Wednesday, November 1, 2017 Chair: Claudia Felser 14:30 15:00 Jens Kortus Fermi-Löwdin-Orbital based selfinteraction-correction and Linnett double quartet theory 15:00 15:10 Discussion 15:10 15:40 Walter Lambrecht Lattice polarization effects on the GW band structure of strongly ionic materials 15:40 15:50 Discussion 15:50 16:20 Michelle Johannes Understanding the electrochemistry of batteries using physics and DFT 16:20 16:30 Discussion 16:30 16:45 Stefan Jorda About the Wilhelm and Else Heraeus Foundation 16:45 18:30 COFFEE and posters 19:00 DINNER
7 Thursday, November 2, 2017 Chair: George A. Sawatzky 09:00 09:30 Claudia Felser Weyl semimetals 09:30 09:40 Discussion 09:40 10:10 Sergey Savrasov High surface conductivity of Fermi Arc electrons in Weyl semimetals 10:10 10:20 Discussion 10:20 10:40 Philipp Hansmann Unconventional Chiral superconductivity induced by longrange interaction 10:40 10:45 Discussion 10:45 11:10 COFFEE BREAK Chair: Alexander Lichtenstein 11:10 11:30 Christoph Heil Ab initio calculation of anisotropic multigap superconductivity in the vicinity of a charge density wave in NbS 2 11:30 11:35 Discussion 11:35 11:55 José A. Flores Livas Cutting edge structure prediction and in silico materials design of superconductors 11:55 12:00 Discussion 12:00 12:30 Mark van Schilfgaarde Metal-insulator transition in copper oxides induced by apex displacements 12:30 12:40 Discussion 12:40 LUNCH
8 Thursday, November 2, 2017 Chair: Michelle Johannes 14:30 14:50 Ying Li Microscopic modeling of optical conductivity in frustrated magnets 14:50 14:55 Discussion 14:55 15:25 Bernhard Keimer High-resolution spectroscopy of hightemperature superconductors 15:25 15:35 Discussion 15:35 16:05 Michele Parrinello Fluctuations, entropy and rare events 16:05 16:15 Discussion 16:15 16:45 COFFEE Chair: Lilia Boeri 16:45 17:15 Volker Heine From then to now: a brief history of our subject in my life 17:15 17:25 Discussion 17:25 17:40 Poster Awards 18:30 HERAEUS DINNER (social event with cold & warm buffet with complimentary drinks) Chair: Tanusri Saha Dasgupta 20:15 Social evening
9 Friday, November 3, 2017 Chair: Sashi Satpathy 09:00 09:30 Olle Eriksson Correlated electronic structures 09:30 09:40 Discussion 09:40 10:10 Alexander Yaresko Band structure origin of bi-quadratic exchange interaction in Fe pnicitides 10:10 10:20 Discussion 10:45 10:45 COFFEE BREAK Chair: Mojmir Šob 10:45 11:15 Andrei Postnikov Dispersion interactions and competing structures in III-VI layered semiconductors 11:15 11:25 Discussion 11:25 12:10 Organizers Closing and final remarks 12:10 LUNCH End of the seminar and departure NO DINNER for participants leaving on Saturday morning
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