The 2nd OpenMX developer's meeting
The 2nd OpenMX developer's meeting will be held in KAIST (Korea Advanced Institute of Science
and Technology), Daejeon, South Korea, for Nov. 24th and 25th, 2016.
Recent development and implementation of new functionalities will be discussed including some
advanced applications using OpenMX.
The meeting will provide a good opportunity for active developers to exchange their ideas,
and promote further development of OpenMX. We also encourage researchers, who are interested
in contributing to development of OpenMX, to attend the informal meeting.
Before the two day meeting, we will organize a hands-on workshop of OpenMX in KAIST on 23rd.
Students and researchers, who are interested in density funtional theories (DFT) calculations,
and using OpenMX, are expected to attend the hands-on workshop.
We are looking forward to having stimulating discussion in KAIST.
Program
Nov. 23rd Hands-on workshop (13:30-17:30) at E6-2 (#1323, first floor)
Poster
Nov. 24th Developer's meeting (9:30-17:30) at E6-2 (#5318, fifth floor)
Poster
Nov. 25th Developer's meeting (9:30-12:30) at E6-2 (#5318, fifth floor)
Nov. 23rd (Hands-on workshop)
13:30-14:00
Taisuke Ozaki (Univ. of Tokyo)
Overview of DFT
PDF
14:00-14:10 Break
14:10-14:50
Taisuke Ozaki (Univ. of Tokyo)
Localized basis methods in OpenMX
PDF
14:50-15:15 Break
15:15-15:45
Hongming Weng (CAS)
Wannier functions in OpenMX
PDF
15:45-16:15
Taisuke Ozaki (Univ. of Tokyo)
Electronic tranport calculation methods in OpenMX
PDF
16:15-16:30 Break
16:30-17:00
Chi-Cheng Lee (Univ. of Tokyo)
Unfolding band structure into a conceptual Brillouin zone
PDF
17:00-17:30
Taisuke Ozaki (Univ. of Tokyo)
Large-scale electronic structure methods in OpenMX
PDF
Nov. 24th (Developer's meeting)
9:30-10:00
Taisuke Ozaki (Univ. of Tokyo)
Core level binding energies in solids from first-principles
PDF
10:00-10:30
Chi-Cheng Lee (Univ. of Tokyo)
Combining LCAO basis functions with plane waves in OpenMX codes for excitation calculations
PDF
10:30-10:50 Break
10:50-11:20
Yung-Ting Lee (KAIST)
Implementation of phonon dispersion with LO-TO splitting for polar materials
PDF
11:20-11:50
Myung Joon Han (KAIST)
Calculating Branching Ratio and Heisenberg Exchange Constant with OpenMX
PDF
11:50-13:30 Lunch break
13:30-14:00
Mincheol Shin (KAIST)
DFT-based NEGF simulations of nanoscale FETs
14:00-14:30
Mari Ohfuchi (Fujitsu Labs.)
Implementation and application of gate voltage in NEGF calculations
PDF
14:30-14:50 Break
14:50-15:20
Mitsuaki Kawamura (Univ. of Tokyo)
Currentdensity and eigenchannel: Implementation and application
PDF
15:20-15:50
Masahiro Fukuda (Univ. of Tokyo)
Toward an O(N) method for the non-equilibrium Green's function calculation
PDF
15:50-16:10 Break
16:10-16:40
Jaejun Yu (SNU)
Development of OpenMX Calculator Interface for ASE (Atomic Simulation Environment)
and its Applications
PDF
16:40-17:00
Taisuke Ozaki (Univ. of Tokyo)
Development of OpenMX Viewer
PDF
17:00-17:30 Free discussion
17:30- Dinner
Nov. 25th (Developer's meeting)
9:30-10:00
Hongming Weng (CAS)
Prediction of Topological Materials using OpenMX
PDF
10:00-10:20
Hikaru Sawahata (Kanazawa Univ.)
Z2 topological invariants and Chern number
PDF
10:20-10:50
Fumiyuki Ishii (Kanazawa Univ.)
Application of interface to Wannier90: anomalous Nernst effect
PDF
10:50-11:10 Break
11:10-11:40
Atsushi Ito (National Institute for Fusion Science)
Hybrid Simulations for Plasma Material Interaction with OpenMX
11:40-12:10
Taisuke Ozaki (Univ. of Tokyo)
Stress and variable cell optimization in OpenMX
PDF
12:10-12:30 Free discussion
12:30- Lunch break
