The complete Scientific Program, including all abstracts and Poster Session assignments, can be found here.
Sunday, June 26
| 2:00 PM – 6:00 PM | Conference check-in and dorm key pickup (Casas del Rio main building [Jemez]) |
| 6:00 PM – 9:00 PM | Welcome Reception and hosted bar (Casas del Rio Gila/Pecos courtyard) |
Monday, June 27
| 7:00 AM – 8:30 AM | Conference check-in and breakfast (SMLC foyer) |
| 8:30 AM – 8:45 AM | Welcome; Opening Remarks, Dr. Patricia A. Henning, Interim Associate Vice President for Research (SMLC Auditorium) |
| 8:45 AM – 9:20 AM | Special talk: Mel Levy, On variational principles in time-independent density functional theory |
| 9:20 AM – 9:30 AM | Break |
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Technical Session I: TDDFT, range-separation, and excited state properties (Chair: Rudy Magyar)
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| 9:30 AM – 10:05 AM | Carsten Ullrich, Excitons in solids: TDDFT versus many-body perturbation theory |
| 10:05 AM – 10:40 PM | Sivan Refaely-Abramson, Solid-state excitations from density-functional theory |
| 10:40 AM – 11:00 AM | Coffee break (SMLC foyer) |
| 11:00 AM – 11:35 AM | Julien Toulouse, Combining density functional theory and many-body methods |
| 11:35 AM – 12:10 PM | Svetlana Kilina, Theoretical insights into the surface chemistry and its effect on the excited state and its coherent properties in nanomaterials |
| 12:10 PM – 1:40 PM | Lunch (SMLC foyer) |
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Technical Session II: Algorithms and Methods (Chair: Jerry Bernholc)
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| 1:40 PM – 2:15 PM | Roland Assaraf, Computing efficiently energy derivatives in quantum Monte Carlo with multi-determinant expansions |
| 2:15 PM – 2:50 PM | Deyu Lu, Local representation of the dielectric response: Theory and applications |
| 2:50 PM – 4:20 PM | Poster Session I and Reception |
| 4:20 PM – 4:55 PM | Volker Blum, All-electron electronic structure pathway to challenges in molecules, materials and “energy |
| 4:55 PM – 5:30 PM | Christian Negre, Next-generation quantum based Born-Oppenheimer molecular dynamics: Towards hundred-thousand atoms over nanoseconds of time evolution |
| Evening Free | |
| 5:45 PM – 7:30 PM | ES ’16 optional tutorial: Real Space Multigrid (RMG) open source electronic structure code, Version 2.0. Jerry Bernholc • Emil Briggs • Wenchang Lu • Miro Hodak RSVP: Emil Briggs, elbriggs .at. ncsu.edu |
Tuesday, June 28
| 7:00 AM – 8:30 AM | Conference check-in and breakfast (SMLC foyer) |
| 8:30 AM – 9:05 AM | Special talk: Marcus Knudson, Dynamic compression experiments on deuterium and their implications for first-principles theory |
| 9:05 AM – 9:15 AM | Break |
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Technical Session III: Bridging Length and Time Scales in Complex Materials (Chair: Blas Uberuaga)
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| 9:15 AM – 9:50 AM | Cormac Toher, Progress in automatic quantum mechanical calculations of materials thermodynamics |
| 9:50 AM – 10:25 AM | Max Amsler, Materials Genome and structure optimization: Theory and application of structural optimization via minima hopping |
| 10:25 AM – 10:45 AM | Coffee break (SMLC foyer) |
| 10:45 AM – 11:20 AM | Alan Wright, Density-functional theory investigation of point defects in GaAs |
| 11:20 AM – 11:55 AM | Ching-Ming Wei, Quantum Monte Carlo studies of interactions in van der Waals bilayer systems |
| 11:55 AM – 12:10 PM | Workshop photo |
| 12:10 PM – 1:40 PM | Lunch (SMLC foyer) |
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Technical Session IV: Electronic Ordering and Strong Correlations (Chair: Warren Pickett)
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| 1:40 PM – 2:15 PM | Hardy Gross, Ultrafast laser-induced demagnetization of solids: Understanding the mechanism with real-time TDDFT |
| 2:15 PM – 2:50 PM | Julie Staunton, Complex magnetism of lanthanide intermetallics and the role of their valence electrons |
| 2:50 PM – 4:20 PM | Poster Session II and Coffee |
| 4:20 PM – 4:55 PM | Jian-Xin Zhu, Electronic correlation effects in plutonium metals and compounds |
| 4:55 PM – 5:30 PM | Hitesh Changlani, Density-matrix based determination of low-energy model Hamiltonians from ab initio wave functions |
| 6:00 PM – 10:00 PM | Reception and hosted bar followed by Workshop banquet (Hodgin Hall) |
Wednesday, June 29
| 7:00 AM – 8:30 AM | Breakfast (SMLC foyer) |
| 8:30 AM – 8:45 AM | Poster award presentations |
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Technical Session V: Electronic Structure and Entanglement (Chair: Andrew Baczewski)
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| 8:45 AM – 9:20 AM | Norm Tubman, Quantum dissection of a covalent bond |
| 9:20 AM – 9:55 AM | Tao Xiang, Renormalization of tensor network models |
| 9:55 AM – 10:25 PM | Coffee break (SMLC foyer) |
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Technical Session VI: Topological Quantum Materials (Chair: Andrew Rappe)
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| 10:25 AM – 11:00 AM | Barry Bradlyn, New Frontiers for Topological Semimetals |
| 11:00 AM – 11:35 AM | Youngkuk Kim, Nonsymmorphic Dirac and double Dirac semimetals |
| 11:35 PM – 11:50 AM | Closing remarks and farewell |