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First part | Second part | Third part
As the second part of the summer school, The 3rd OpenMX developer's meeting will be held on July 9th and 10th. Recent development and implementation of new functionalities will be discussed including some advanced applications using OpenMX. This will be a regular meeting for active developers to exchange their ideas, and promote further development of OpenMX. We also encourage students and researchers, who are interested in contributing to development of OpenMX, to attend the meeting.
The following program is still temporal. We will update it once more details are fixed.
The Program of the Second Part
The 1st day (July 9th)
| 9:00-9:20 | Registration |
| 9:20-9:30 | Taisuke Ozaki (ISSP) |
Opening remarks | ||||||
| 9:30-10:00 | Truong Vinh Truong Duy (NISSAN ARC) |
High-Throughput Computational Approach with OpenMX: The Case of Li/Vacancy Configurations and Structural Evolution during Delithiation of Li2MnO3 Surface | ||||||
| 10:00-10:30 | Masanobu Miyata (JAIST) |
Experimental and theoretical investigation of thermoelectric properties of sulfides with OpenMX and BoltzTraP | ||||||
| 10:30-10:50 | Break | |||||||
| 10:50-11:20 | Taisuke Ozaki (ISSP) |
Efficient O(N) Method with Localized Natural Orbitals | ||||||
| 11:20-11:50 | Ryosuke Ishizuka (Osaka Univ.) |
Force Field Parameterization through the Self-Consistent Scheme Combining OpenMX and Molecular Dynamics Simulation | ||||||
| 11:50-13:30 | Lunch | |||||||
| 13:30-14:00 | Fukuda Masahiro (ISSP) |
Linear scaling non-equilibrium Green's function method for electronic transport calculation | ||||||
| 14:00-14:30 | Hideyuki Jippo (Fujitsu Labs.) |
Electronic transport calulcations of graphene nanoribbon-tunneling field effect transitors | ||||||
| 14:30-15:00 | Hongming Weng (IOP, CAS) |
Band structure of Moire pattern graphene using O(N) method | ||||||
| 15:00-15:20 | Break | |||||||
| 15:20-15:50 | Kapildeb Dolui (Univ. of Delaware) |
Spin-orbit proximity effect in ferromagnetic metals: Fudamental and spintronics applications | ||||||
| 15:50-16:20 | Fumiyuki Ishii (Kanazawa Univ.) |
First-principles calculations of spin textures in momentum space | ||||||
| 16:20-16:50 | Masayuki Toyoda (Tokyo Inst. of Tech.) |
Exact Exchange in OpenMX | ||||||
| 16:50-17:15 | JaeHwan Shim (SNU) |
OpenMX Interface for the Atomic Simulation Environment |
The 2nd day (July 10th)
| 9:20-9:50 | Mitsuaki Kawamura (ISSP) |
DCore: DMFT tool connectable first-principles codes | ||||||
| 9:50-10:15 | Hongkee Yoon (KAIST) |
Reliability and applicability of magnetic force linear response theory: Numerical parameters, predictability, and orbital resolution with OpenMX | ||||||
| 10:15-10:40 | Siheon Ryee (KAIST) |
DFT+U functionals: New implementation into OpenMX and unexplored aspects | ||||||
| 10:40-11:00 | Break | |||||||
| 11:00-11:30 | Yung-Ting Lee (ISSP) |
Implementation of electric conductivity, dielectric function, and relevant optical properties for a large scale system in OpenMX | ||||||
| 11:30-12:00 | Chi-Cheng Lee (ISSP) |
Tight-binding representation of momentum matrix element | ||||||
| 12:00-12:30 | Yoshihiro Gohda (Tokyo Inst. of Tech.) |
Surface-science studies by OpenMX | ||||||
| 12:30-12:35 | Taisuke Ozaki (ISSP) |
Closing remarks |