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As the third part of the summer school,

The following program is still temporal. We will update it once more details are fixed.

8:50-9:20 | Registration |

9:20-9:30 | Taisuke Ozaki (ISSP) |
Opening remarks | ||||||

9:30-10:40 | Paul R. Kent (ORNL) |
Quantum Monte Carlo for Real Materials | ||||||

10:40-11:10 | Break | |||||||

11:10-12:10 | Fumiyasu Oba (Tokyo Inst. of Tech.) |
Design and exploration of novel semiconductors using first-principles calculations | ||||||

12:10-13:40 | Lunch | |||||||

13:40-14:50 | Takao Tsuneda (Univ. of Yamanashi) |
Reaction analysis based on orbital energies: An advanced reaction orbital theory |
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14:50-15:10 | Break | |||||||

15:10-17:00 | Poster session |

9:30-10:40 | Eric L. Shirley (NIST) |
Core & Valence Excitations by the Bethe-Salpeter Equation | ||||||

10:40-11:10 | Break | |||||||

11:10-12:10 | Terumasa Tadano (NIMS) |
Ab initio lattice dynamics methods for modeling strong phonon anharmonicity in solids | ||||||

12:10-13:40 | Lunch | |||||||

13:40-14:50 | David Prendergast (LBNL) |
Validating electronic structure predictions for complex dynamical systems using simulated core-level spectra | ||||||

14:50-15:00 | Taisuke Ozaki (ISSP) |
Closing remarks |

- P-1: DCore: DMFT tool connectable first-principles codes

Mitsuaki Kawamura (ISSP) - P-2: Implementation of the DFT+DMFT: Methods for correlated subspace projection and analytic continuation

Jae-Hoon Sim (KAIST) - P-3: Hierarchy on geminal theories

Airi Kawasaki(ISSP) - P-4: First-Principles Study of Ferromagnetic Iron Dichloride

Rifky Syariati (Kanazawa Univ.) - P-5: First-principles calculations on anomalous thermoelectric effect of ferromagnetic Heusler alloys

Susumu Minami (Kanazawa Univ.) - P-6: Machine-Learning implementation of non-local density functionals - application for 1D two-electron model

Ryo Nagai (ISSP) - P-7: Structural analysis of Amorphous Nd-Fe alloys Using Gabriel Graph and the Relationship with Magnetism

Asako Terasawa (TIT) - P-8: Topological Nodal Line Structure in Rocksalt SnS and its Zak Phase and Surface States

Kunihiro Yananose (Seoul National Univ.) - P-9: Hydrogen Adsorption on Pt(111) Revisited from Random Phase Approximation

Lei Yan (ISSP) - P-10: First-principles Study on Effects of Surface Coverage on Spin Spltting in Bi/Ag Surface Alloys

Naoya Yamaguchi (Kanazawa Univ.) - P-11: Implementation of electric conductivity, dielectric function, and relevant optical properties for a large scale system in OpenMX

Yung-Ting Lee (ISSP) - P-12: First-Principle Study of Phase Transition in Monolayer MnCl2 Using Generalized Bloch Theorem

Teguh Budi Prayitno (Kanazawa Univ.) - P-13: First-Principles Study on Rectification Mechanisms of Molecular Diodes

Tatsuhiko Ohto (Osaka Univ.) - P-14: Coulomb Energy Density Functionals for Nuclear Systems

Tomoya Naito (Univ. of Tokyo/RIKEN) - P-15: Self-consistent GW+Bethe-Salpeter calculation on small molecules

Kohei Ishii (ISSP) - P-16: Ab initio Pourbaix diagram of defective oxide: A feasibility study of SCAN and ACFDT-RPA functional

Yoshiyuki Yamamoto (ISSP) - P-17: Giant Tunnel magnetoresistance with a single magnetic phase-transition electrode

Jia Zhang (Huazhong Univ.) - P-18: Reaction dynamics study for C-Br bond breaking within BrH
_{2}C-C-=C_{(ads)}adsorbed on Ag(111) surface: Ab initio molecular dynamics approach

Jyh Shing Lin (Tamkang Univ.) - P-19: Non-equilibrium Green's function method for order N electronic transport calculation

Masahiro Fukuda (ISSP) - P-20: First-principles study of anomalous Hall conductivity in bcc iron using pseudo atomic orbitals

Chi-Cheng Lee (ISSP)