As the third part of the summer school,
Advanced Lecture Series
will be held on July 11th and 12th.
Leading researchers will give a lecture on advanced topics covering methodological developments
in computational physics and chemistry and its application to a wide variety of materials having
not only fundamental significance and but also industrial importance.
The
Advanced Lecture Series will highlight the current status of first-principles electronic structure
calculations and may indicate a future direction of the field.
In addition to this, there will be a poster session of contributed participants to enhance active discussion
in the afternoon of the first day (July 11th).
The following program is still temporal. We will update it once more details are fixed.
The Program of the Third Part
The 1st day (July 11th)
|
| 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
|
|
| 14:50-15:10 |
|
| |
|
|
Break
|
|
| 15:10-17:00 |
|
| |
|
| Poster session |
The 2nd day (July 12th)
|
| 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
|
Poster presentations
- 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 BrH2C-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)