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
Opening remarks
9:30-10:00 Truong Vinh Truong Duy
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
Experimental and theoretical investigation of thermoelectric properties of sulfides with OpenMX and BoltzTraP
10:30-10:50 Break
10:50-11:20 Taisuke Ozaki
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
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
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
OpenMX Interface for the Atomic Simulation Environment

The 2nd day (July 10th)

9:20-9:50 Mitsuaki Kawamura
DCore: DMFT tool connectable first-principles codes
9:50-10:15 Hongkee Yoon
Reliability and applicability of magnetic force linear response theory: Numerical parameters, predictability, and orbital resolution with OpenMX
10:15-10:40 Siheon Ryee
DFT+U functionals: New implementation into OpenMX and unexplored aspects
10:40-11:00 Break
11:00-11:30 Yung-Ting Lee
Implementation of electric conductivity, dielectric function, and relevant optical properties for a large scale system in OpenMX
11:30-12:00 Chi-Cheng Lee
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
Closing remarks