Computational Materials Science Unit Home Page - Top -

Outline

ohnoDirector Dr. Takahisa OhnoWe aim to develop an advanced simulation technology for nanomaterials research. This technology is designed to clarify the structure-function relationship of nanomaterials, and to explore basic rules for designing innovative functions. This will make a great contribution to the establishment of new paradigms for synthesizing novel materials.

Location & Access

kanto-mapKanto Area : Click to enlargeNational Institute for Materials Science (NIMS)
Computational Materials Science Unit (CMSU)
1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan
TEL JPN-29-859-2000
FAX JPN-29-859-2601


tsukuba-mapTsukuba Area : Click to enlargeDoticon_wht_Star.pngBy Car
Take Joban highway to Sakura-Tuchiura exit, take a lane to Tsukuba direction, proceed to the second traffic light, intersection of Route 354 and "Higashi o-dori" street, turn right onto "Higashi o-dori" street, continue on this street for a while.
At the 7th traffic light, intersection of "Higashi o-dori" street and "Minami o-dori" street, turn left onto "Minami o-dori" street.
At the first trafic light, turn left. You will be at the main gate of Sengen site.


sengen-mapWalking Map : Click to enlargeDoticon_wht_Star.pngBy Tsukuba Express(TX)
Metropolitan Intercity Railway Co. operates Tsukuba Express (TX) line which connects Akihabara in central Tokyo and Tsukuba in 45 minutes. The fare is 1,150 yen.
Get out to the Tsukuba Center Bus Terminal from the station through Exit #A4. 15 minute-walk or take an Arakawaoki-bound local bus at the bus stop #4. Get off at “Sengen ichome”.
NIMS Shuttle Service

Doticon_wht_Star.pngBy Highway Bus
Japan Railway Co. (JR) and Kanto Railway Co. operate shuttle bus services between Tokyo and Tsukuba. The busses leave from Tokyo station "YAESU-south exit" (bus stop #3) every 10 to 20 minutes. It takes about 90 minutes to Tsukuba depending on the traffic. Tickets are available at a ticket booth in Highway bus center, which is located in YAESU-south exit. The fare for one way trip is 1250 yen/person. Please note that no credit cards are acceptable for the ticket purchase.
Get off at "Sengen ichome", then follow the walking map.

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Research Organization

Material Properties Theory Group

fps2Recent progress in the nanoscience requires the reconsideration of the conventional understanding of the material properties with help of the computational materials science and the state-of-the-art computer technologies. Our project is aimed to obtain the theoretical understanding and predictions of the material properties in terms of the quantum mechanical symmetry which governs the nanoscale properties and the non-empirical electronic theory.

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First-Principles Simulation Group

fps1With a linear-scaling DFT method, we can employ DFT calculations on systems containing more than tens of thousands of atoms. We also develop the first-principles calculation method to investigate the transport properties of such nano-structures.

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Thermodynamic Modeling Group

pstWe are applying various simulation techniques such as molecular dynamics, Monte Calro, cluster variation method, and phase field method to materials phenomena to clarify the physics behind them and to predict the microstructure and properties of practical materials.

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