12 citations · 14 across the 4 of their papers we have counts for
4 papers
Analysis of multiple data sequences with different distributions: defining common principal component axes by ergodic sequence generation and multiple reweighting composition
Ikuo Fukuda, Kei Moritsugu
Principal component analysis (PCA) defines a reduced space described by PC axes for a given multidimensional-data sequence to capture the variations of the data. In practice, we ne…
On ergodicity for multi-dimensional harmonic oscillator systems with Nose-Hoover type thermostat
Ikuo Fukuda, Kei Moritsugu, Yoshifumi Fukunishi
A simple proof and detailed analysis on the non-ergodicity for multidimensional harmonic oscillator systems with Nose-Hoover type thermostat are given. The origin of the nonergodic…
GA-guided mD-VcMD: A genetic-algorithm-based method for multi-dimensional virtual-system coupled molecular dynamics
Junichi Higo, Ayumi Kusaka, Kota Kasahara +5
We previously introduced a conformational sampling method, a multi-dimensional virtual-system coupled molecular dynamics (mD-VcMD), to enhance conformational sampling of a biomolec…
Performance Evaluation of the Zero-Multipole Summation Method in Modern Molecular Dynamics Software
Shun Sakuraba, Ikuo Fukuda
We evaluate the practical performance of the zero-multiple summation method (ZMM), a method for approximately calculating electrostatic interactions in molecular dynamics simulatio…