Last updated 2017-11-09 HOME


Welcome to NIMS GREEN IFCS group homepage


Interface Computational Science (IFCS) group in
Center for Green Research on Energy and Environmental Materials (GREEN) was originally established in October 2007. Thus, it’s 10 years celebration!

The main targets of the IFCS group are science and technology related to energy and environmental issues, through novel theoretical, computational and data-science techniques associated with first-principles calculations.

We are enjoying many discussions about novel theories/computational methods as well as update experimental findings in physics, chemistry and materials science. In particular, we focus on quantitative simulations of phenomena at solid-liquid and solid-solid interfaces on the atomic and electronic scales, and mainly deal with transition metal oxide and semiconductor electrodes as well as water and organic solvents.

As interface simulation is a cutting-edge research in the world at present, we have many high-quality guests working on similar projects and discuss the update theories, methods as well as interfacial phenomena.

The group is seeking contributions to both theoretical/computational sciences and practical physics, chemistry and nano-science. In this respect, we are interested in understanding realistic systems/phenomena, and pleased to discuss with experimentalists, intensively. From application point of view, we're working on issues in catalysis & photocatalysis, dye-sensitized solar cell, secondary battery, and have collaborations with experimentalists. Of course, we're very happy to have discussions of theory and computational techniques as expert computational scientists.

NEWS: The CPMD2017 workshop, Dr. Tateyama was co-chairing, was successfully finished. (LinkIconCPMD2017 Workshop webpage) Thank you very much for your cooperation!

NEWS: Our team has 3 JST-PRESTO researchers now, making scientific activity very exciting.

Dr. Atsushi Ishikawa is awarded JST-PRESTO for the catalysis region since 1 October. So now, 3 members, Dr. Keitaro Sodeyama, Dr. Randy Jalem, Dr. Atsushi Ishikawa are working in our team. This makes the scientific discussion/activity very exciting. We welcome your visit and discussion with the team members.

NEWS: GL Dr. Tateyama is co-organising a symposium EN1 in 2018 MRS Spring Meeting 2018 for 2-6 April 2018 in Phoenix, US.

GL Dr. Yoshitaka Tateyama is co-organising a symposium EN1 “Solid-Solid Interfaces in Batteries, Energy Storage and Conversion - Diagnostic and Modeling” in MRS SPRING meeting 2018 for 2-6 April 2018 @ Phoenix, US, together with Dr. Kevin Leung, Prof. Yue Qi, and Prof. Bruce Dunn.

NEWS: Recent results

NEWS: NOSE30 International Symposium in Tokyo, November 2014.

LinkIcon"International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nosé Dynamics 30 Years (NOSE30)" was held at the Mita Campus, Keio University for 10-11 November 2014, where Dr. Y. Tateyama (IFCS GL) played a vice-chair role in the organising committee. It's pretty successful with a lot of exciting discussions on cutting-edge theories and techniques for rare event sampling. Thank you for your cooperation!

NOTICE: Current status of NIMS, Tsukuba

The radiation dose level in Tsukuba is stable around the values low enough. So please do not worry about visiting us. For your references, some monitoring sites in Tsukuba are linked below.
NIMS monitoring site & AIST monitoring site
NOTE: A normal level is 0.04 microSv/h in Tsukuba, while chest X-ray costs 50 microSv, and 200 microSv does the return trip between Tokyo and New York.