Program of the "HoW exciting! 2016" Workshop (August 3-6)
| Wednesday, August 3 |
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| Time | Room | Speaker / Title |
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| 13:45-14:00 | Gerthsen Saal | Opening |
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| Session 1: Quasiparticles and Beyond |
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| 14:00-15:00 | Gerthsen Saal | Lucia Reining | A direct approach to the calculation of many-body Green's functions: Theoretical spectroscopy beyond quasiparticles |
| 15:00-16:00 | Gerthsen Saal | Marco Grioni | The electronic structure of transition metal oxides probed by high- (and higher-) energy spectroscopies |
| 16:00-16:30 | Coffee break |
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| Session 2: Transport and Spin |
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| 16:30-17:30 | Gerthsen Saal | Ingrid Mertig | Topological properties and transversal transport coefficients |
| 17:30-17:45 | Gerthsen Saal | Beata Taudul | Tunnelling spintronics across MgO driven by double oxygen vacancies |
| 17:45-18:45 | Gerthsen Saal | Andris Gulans | Accurate treatment of relativity in excitations |
| 19:00-21:00 | Dinner |
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| Thursday, August 4 |
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| Session 3: Spectroscopy |
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| 09:00-10:00 | Gerthsen Saal | Friedhelm Bechstedt | Bethe-Salpeter equation approach to excitations in transparent conducting oxides |
| 10:00-10:15 | Gerthsen Saal | Olga Turkina | Electronic and optical excitations at the pyridine@ZnO hybrid interface |
| 10:15-10:45 | Coffee break |
| 10:45-11:45 | Gerthsen Saal | Jens Biegert | Attosecond soft x-rays and spectroscopy |
| 11:45-12:00 | Gerthsen Saal | Laura Foglia | Electronic sum-frequency generation and XUV four wave mixing: Novel non-linear optical probes of exciton dynamics |
| 12:00-13:50 | Lunch |
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| Session 4: Theoretical Methods for Excitations |
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| 13:30-14:30 | Gerthsen Saal | Martin Schütz | Ab-initio calculations of electronically excited states for large molecular systems |
| 14:30-14:45 | Gerthsen Saal | Alberto Ambrosetti | Wave-like nature of the Van-der-Waals interaction at the nanoscale |
| 14:45-15:45 | Gerthsen Saal | Santiago Rigamonti | New kernels for time-dependent density-functional theory calculations |
| 15:45-16:00 | Gerthsen Saal | Mark DelloStritto | Bond-polarisability model of SFG reveals strong and weak H-bonds at the Al2O3(0001)-H2O interface |
| 16:00-16:30 | Coffee Break |
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| Session 5: Excitations in 2D Materials |
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| 16:30-17:30 | Gerthsen Saal | Jorge Sofo | Optical excitations in bilayer graphene under pressure: Topological effects |
| 17:30-17:45 | Gerthsen Saal | Mohammad Noor-A-Alam | Switchable polarisation in graphene-based monolayers |
| 17:45-18:00 | Gerthsen Saal | Filipe Matusalem | Topological invariants preserved for stanene-like derived sheets on (0001)-SiC surfaces |
| 18:00-19:30 | Poster session |
| 19:30-21:30 | Dinner |
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| Friday, August 5 |
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| Session 6: Electron-Phonon Coupling |
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| 09:00-10:00 | Gerthsen Saal | Feliciano Giustino | Optical absorption spectra at finite temperature |
| 10:00-11:00 | Gerthsen Saal | Xavier Gonze | Temperature-dependence and zero-point renormalisation of the electronic structure of solids |
| 11:00-11:30 | Coffee break |
| 11:30-12:30 | Gerthsen Saal | Matthias Scheffler | Strong electron-vibrational coupling and ab-initio theory of heat transport |
| 12:30-12:45 | Gerthsen Saal | Jean Paul Nery | Dynamical effects on the low temperature dependence of polar semiconductors |
| 12:45-14:00 | Lunch |
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| Session 7: Excitations in Photovoltaic Materials |
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| 14:00-15:00 | Gerthsen Saal | Leeor Kronik | Understanding hybrid organic/inorganic materials and structures from first principles |
| 15:00-16:00 | Gerthsen Saal | Clas Persson | New materials for solar cells |
| 16:00-16:15 | Gerthsen Saal | Chuanding Dong | Influence of order and disorder on photovoltaic properties of AnE-PV copolymers |
| 16:15-16:45 | Coffee Break |
| 17:00-18:45 | Gerthsen Saal | Pasquale Pavone | "A touch of exciting" |
| 19:00-21:00 | Dinner |
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| Saturday, August 6 |
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| Session 8: Core-Level Excitations |
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| 09:00-10:00 | Gerthsen Saal | Andrivo Rusydi | High-energy optical conductivity in oxides heterostructures and correlated electron systems |
| 10:00-10:15 | Gerthsen Saal | Jannick Weisshaupt | Ultrafast modulation of x-ray absorption by coherent phonon excitations |
| 10:15-10:45 | Coffee break |
| 10:45-11:00 | Gerthsen Saal | Weine Olovsson | X-ray absorption spectroscopy: Temperature effects using BSE |
| 11:00-11:15 | Gerthsen Saal | Regiane Nascimento | Theoretical investigation of BCN materials and simulated x-ray absorption spectra |
| 11:15-12:15 | Gerthsen Saal | John Rehr | Inelastic losses and satellites in x-ray and electron spectra |
| 12:15-12:30 | Gerthsen Saal | Closing remarks |
Program of the "HoW exciting! 2016" Hands-on Tutorial (August 7-11)
| Sunday, August 7 |
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| Time | Room | Speaker / Title |
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| 14:00-14:30 | Gerthsen Saal | Opening |
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| Session 1: An "exciting" start |
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| 14:30-15:00 | Gerthsen Saal | Pasquale Pavone | Density-functional theory from an "exciting" perspective |
| 15:00-16:00 | Gerthsen Saal | Andris Gulans | Behind the "exciting" curtain: The (L)APW+lo method |
| 16:00-16:30 | Coffee break |
| 16:30-18:45 | PC-Room | Hands-on session: Kohn-Sham electronic-structure properties |
| 19:00 | Dinner |
| 19:00-22:00 | PC-Room | After-dinner hands-on session |
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| Monday, August 8 |
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| Session 2: Structure optimization, elastic constants, and phonon properties |
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| 09:00-10:00 | Gerthsen Saal | Pasquale Pavone | Crystal relaxation, elasticity, and lattice dynamics |
| 10:00-10:30 | Coffee break |
| 10:30-12:30 | PC-Room | Hands-on session: Ground state, elastic, and dynamical properties |
| 12:30-14:00 | Lunch |
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| Session 3: GW and energy functionals |
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| 14:00-15:00 | Gerthsen Saal | Dmitrii Nabok | The "exciting" GW method |
| 15:00-15:30 | Gerthsen Saal | Ronaldo Pela | The LDA-1/2 method in "exciting" |
| 15:30-16:00 | Coffee Break |
| 16:00-18:45 | PC-Room | Hands-on session: GW, hybrid functionals, and LDA-1/2 |
| 19:00 | Dinner |
| 19:00-22:00 | PC-Room | After-dinner hands-on session |
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| Tuesday, August 9 |
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| Session 4: Optical and core excitations |
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| 09:00-09:30 | Gerthsen Saal | Caterina Cocchi | The Bethe-Salpeter equation: Excitons in "exciting": |
| 09:30-10:00 | Gerthsen Saal | Christian Vorwerk | Core-level excitations in "exciting" |
| 10:00-10:30 | Coffee break |
| 10:30-12:30 | PC-Room | Hands-on session: Optical and core excitations in "exciting" |
| 12:30-14:00 | Lunch |
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| Session 5: User projects |
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| 14:00-16:30 | PC-Room | Hands-on session: User projects |
| 17:00-21:00 | Social dinner |
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| Wednesday, August 10 |
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| Session 6: Time-dependent DFT |
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| 09:00-09:45 | Gerthsen Saal | Santiago Rigamonti | Time-dependent density-functional theory in "exciting" |
| 09:45-10:00 | Gerthsen Saal | Christian Vorwerk | LayerOptics: Microscopic modeling of optical coefficients in layared materials |
| 10:00-10:30 | Coffee break |
| 10:30-12:30 | PC-Room | Hands-on session: TDDFT |
| 12:30-14:00 | Lunch |
| |
| Session 7: "exciting"-related packages |
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| 14:00-15:00 | Gerthsen Saal | Rigamonti & Troppenz | CELL: Cluster expansion for large parent cells |
| 10:00-10:30 | Coffee break |
| 15:30-17:45 | PC-Room | Parallel hands-on session 1: CELL |
| 15:30-17:45 | PC-Room | Parallel hands-on session 2: LayerOptics |
| 15:30-17:45 | PC-Room | Parallel hands-on session 3: ElaStic |
| 15:30-17:45 | PC-Room | Parallel hands-on session 4: User projects |
| 17:45-18:45 | Gerthsen Saal | Philip Hofmann | Electronic structure and electron dynamics in novel two-dimensional materials |
| 19:00 | Dinner |
| 19:00-22:00 | PC-Room | After-dinner hands-on session |
| |
| Thursday, August 11 |
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| Session 4: Novel materials |
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| 09:00-10:00 | Gerthsen Saal | Claudia Draxl | Novel materials discovery: The NOMAD project |
| 10:00-10:15 | Coffee break |
| 10:15-12:15 | PC-Room | Hands-on session: NOMAD & User projects |
| 12:15-12:30 | Gerthsen Saal | Closing remarks |
Invited Speakers to the Workshop
Friedhelm Bechstedt, Friedrich Schiller Universität Jena, Germany
Jens Biegert, Institute of Photonic Sciences, Barcelona, Spain
Feliciano Giustino, University of Oxford, UK
Xavier Gonze, Université Catholique de Louvain, Belgium
Marco Grioni, École Polytechnique Fédérale de Lausanne, Switzerland
Andris Gulans, Humboldt-Universität zu Berlin, Germany
Philip Hofmann, University of Aarhus, Denmark
Leeor Kronik, Weizmann Institute of Science, Israel
Ingrid Mertig, Martin Luther University of Halle‑Wittenberg, Germany
Clas Persson, University of Oslo, Norway
John J. Rehr, University of Washington, Seattle, USA
Lucia Reining, CNRS Palaiseau, and Ecole Polytechnique, France
Santiago Rigamonti, Humboldt-Universität zu Berlin, Germany
Andrivo Rusydi, National University of Singapore, Singapore
Matthias Scheffler, FHI Berlin, Germany
Martin Schütz, University of Regensburg, Germany
Jorge Sofo, Penn State Unviersity, USA
(*) to be confirmed
Deadlines
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NEW: DEADLINE for regular registration, abstract submission, and application for financial support EXTENDED to JUNE 1.
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| June 5, 2016 |
Information about acceptance. Information concerning payment will be provided in the acceptance letter. |
| June 20, 2016 |
Payment deadline for accepted applicants |
| June 20, 2016 |
End of post-deadline registration. We may accept applications of participants after the extended regular deadline (June 1), depending on available space. We cannot provide financial support, however, in this case. |
| August 3, 2016 |
Start of the workshop (13:30) |
| August 6, 2016 |
End of the workshop (12:30) |
| August 7, 2016 |
Start of the hands-on tutorial (14:00) |
| August 11, 2016 |
End of the hands-on turorial (13:30) |
