We are pleased to inform you that the Computational Material Design and Quantum Engineering Laboratory, Research Group of Engineering Physics, Faculty of Industrial Technology, Institute of Technology Bandung (ITB), in cooperation with the Kasai Laboratory of the Osaka University will organize 2nd Asia Computational Materials Design Workshop. This workshop will provide lectures of leading-edge researches in Computational Materials Design (CMD) Science and hands-on practical training of the quantum simulation. The invited speakers are the top experts in this field.

Computational materials design is a computational approach aimed at developing new materials with specified properties and functionalities. The basic ingredient is the use of quantum simulations to solve the materials science problems in order to design a material that suits this specification. CMD has the high potentiality to impact the real industrial research and development.

Although the subject covered in this workshop is advance nevertheless we will present it to you step by step. The workshop will be started with the overview of possible roles of CMD in Indonesia, some CMD applications, CMD in surface interactions and nano-spintronics, and followed by the development of quantum simulators. For this workshop we purposefully choose Machikaneyama 2000 for the hands on experience of CMD. Machikaneyama 2000 is an open source application, a sophisticated KKR-CPA-LDA ab initio electronic structure calculation code, which has been developed by Prof. Hisazumi Akai in Osaka University. Prof. Akai will give an introductory lecture on the DFT calculations with the Machikaneyama. On quantum molecular dynamics simulation the workshop will discuss State-Senri code. Another CMD advanced case study in this workshop will be on Naniwa 2001, a quantum calculation code for atomic motion.

We are looking forward to seeing you in the campus of Institute of Technology Bandung. You will also find pleasant places to see and enjoy recreation around the city of Bandung.

The workshop will provide hands-on experience on quantum simulation. We chose to use an open source application so that the participants can easily develop for their own purposes without an extra spending on application softwares. Although there is no computational language knowledge requirements, understanding any of it, preferably fortran or C and Java, will be useful. The lecture, practice, and tutorial will be given by the experts from both ITB and Osaka University.

After completing this workshop, the participants should familiar with DFT based ab initio computation, development of quantum simulators and computational material design paradigm in general; should be able to use modern tools, Machikaneyama, State-Senri and Naniwa codes, for quantum simulation and material design; should be able to conduct quantum molecular dynamics and atomic motion based simulations.

Lecturers, graduate students as well as practioners in physics, chemistry, engineering physics, electrical engineering, material science and engineering. Basically every one interested in the subject are welcomed. However, we will strictly limit the number of participants to 45 and the decision will only be based on the first come first served basis.

• Air-conditioned computer laboratory with multimedia facilities
• Lunch
• Snacks
• Certificate

The lectures will be given by :

• Prof. Hideaki Kasai
• Prof. Hiroshi Katayama Yoshida
• Prof. Hiroshi Nakanishi
• Prof. Yoshitada Morikawa
• Prof. Tomoya Ono
• Prof. Masaaki Geshi
• Kazunori Sato

• Hermawan K. Dipojono Ph.D

Kelompok Keahlian Teknik Fisika, Fakultas Teknologi Industri, Institut Teknologi Bandung