Katsumi Yamashita

发表

Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA)

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2010 .

Parallelized integral-direct CIS(D) calculations with multilayer fragment molecular orbital scheme

T. Nakano, M. Sakurai, Y. Mochizuki, 2007 .

Large scale FMO-MP2 calculations on a massively parallel-vector computer

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2008 .

Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach

Yuji Mochizuki, Shigenori Tanaka, Tatsuya Nakano, 2010 .

Fragment molecular orbital-based molecular dynamics (FMO-MD) method with MP2 gradient

Yuto Komeiji, Yuji Mochizuki, Hiroshi Yamataka, 2011 .

Research on Innovative Simulation Software

T. Nakano, C. Kato, T. Ohno, 2009 .

Revolutionary Simulation Software for the 21st Century : Annual Report of the Earth Simulator Center April 2007-March 2008

T. Nakano, H. Shimizu, C. Kato, 2008 .

Higher-order correlated calculations based on fragment molecular orbital scheme

Kaori Fukuzawa, T. Nakano, Shigenori Tanaka, 2011 .

CONSTANT VOLUME SHEAR BEHAVIOR OF SANDY SOILS UNDER HIGH CONFINING PRESSURE

Katsumi Yamashita, H. Ohta, M. Sakaue, 2006 .

Prediction of probable mutations in influenza virus hemagglutinin protein based on large-scale ab initio fragment molecular orbital calculations.

Kaori Fukuzawa, T. Nakano, Shigenori Tanaka, 2011, Journal of molecular graphics & modelling.

Development of the four-body corrected fragment molecular orbital (FMO4) method

Kaori Fukuzawa, Yuji Mochizuki, Takayuki Tsukamoto, 2012 .

The ABINIT-MP Program

Hirotoshi Mori, Yoshinobu Akinaga, Yuto Komeiji, 2021 .