Data Repository Search

Tensor Renormalization Group Calculations of Partition-Function Ratios

The behavior of dimensionless quantities defined as ratios of partition functions is analyzed to investigate phase transitions and critical phenomena. At criticality, the universal values of these ratios can be predicted from conformal field theory (CFT) through the modular-invariant partition functions on a torus. We perform numerical calculations using the bond-weighted tensor renormalization group for three two-dimensional models belonging to different universality classes: the Ising model, the three-state Potts model, and the four-state Potts model. The partition-function ratios obey the same finite-size scaling form as the Binder parameter, and their critical values agree well with the universal values predicted by CFT. In the four-state Potts model, we observe logarithmic corrections in the system-size dependence of these ratios.

VASP inputs and trajectory analysis programs for Ba-Li oxyhydrides

First-principles molecular dynamics simulation data for Ba-Li oxyhydride by VASP and additional fortran and python programs for output trajectory files.

Mitigating proton trapping in cubic perovskite oxides via ScO6 octahedral networks

Molecular dynamics trajectory for proton diffusion in heavily Sc-doped BaSnO3, the force field used for the simulation, and training data for the machine-learning force field.

ODAT-SE gallery

Open Data Analysis Tool for Science and Engineering (ODAT-SE) is a framework for applying a search algorithm to a direct problem solver to find the optimal solution. It has been developed by the name 2DMAT, and since version 3.0, it is organized as an open platform for data analysis by modularizing direct problem solvers and search algorithms.
This repository is a collection of examples for ODAT-SE.

Atomic Observation on Diamond (001) Surfaces with Near-Contact Atomic Force Microscopy

Density-functional-theory calculations revealed that the formation of tilted Si–C bonds between scanning Si probes and diamond (001) surfaces, coupled with the reordering of surface C–C dimers, are critical factors for achieving atomic resolution.
The mechanism of high-resolution AFM imaging was elucidated by force spectroscopy combined with first-principles calculations.
This database provides the input files and the results of the DFT calculations by OpenMX.

Dimer ribbon structures on diamond (001) surfaces revealed with atomic force microscopy

Density-functional-theory calculations revealed that the diamond (001) surfaces and observed specific structures, where odd numbers of dimers form ribbonlike configurations. The mechanism of high-resolution AFM imaging was elucidated by force spectroscopy combined with first-principles calculations. Our findings provide a crucial foundation for optimizing the film growth process of diamond surfaces.
This database provides the input files and the results of the DFT calculations by OpenMX.

Simulation data of the aging process in a network

Aging behavior of the scale free network with various parameters. This repository contains all the raw data related to the following paper.

"Structural Changes and Percolation Transition in Networks after Aging Processes", R. Sekikawa and H. Watanabe

PHYSBO Gallery

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/physbo-dev/physbo-gallery
Update Date：2026-02-04 13:27:23

bwtrg-multi-impurity

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/smorita/bwtrg-multi-impurity
Update Date：2026-02-02 15:58:27

bwtrg-ratio-z

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/smorita/bwtrg-ratio-z
Update Date：2026-02-02 12:59:18

pair-based ridge regression model

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/shangwenchuang/pair-based-ridge-regression-model
Update Date：2026-01-20 13:22:44

alpha-bets2-aucl2

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/alpha-bets2-aucl2
Update Date：2026-01-08 18:22:44