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Quantum ESPRESSO inputs of energy and NEB calculations for barium titanium oxyhydrides

First-principles energy calculation input files for barium titanium oxyhydrides using Quantum ESPRESSO and corresponding NEB calculation input files for anion diffusions in the oxyhydrides.

Snapshot Data for “Building a Research-Software Catalogue with a Coding Agent: From Hackathon Prototype to Public Deployment”

Data underlying the paper “Building a Research-Software Catalogue with a Coding Agent: From Hackathon Prototype to Public Deployment.” Part 1 contains the 1 September 2026 catalogue snapshot (68 public repository records), derived data for Figure 4, provenance metadata, and validation scripts. Part 2 contains the MateriApps data used in Section 4: metadata for 336 applications, 6,230 documentation pages crawled by 3 August 2026, a 49,485-passage vector index, and retrieval-evaluation outputs. Original data and evaluation outputs are licensed under CC BY 4.0. Copyright in third-party documentation remains with its respective owners.

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

Molecular Dynamics Study of Rayleigh-Plateau Instability at Liquid-Liquid Interfaces

Data obtained by molecular dynamics simulations on the dispersion relation of the Rayleigh–Taylor instability

Spatiotemporal Patterns in Active Potts Models

Data of Monte Carlo Simulations of Active Potts Models

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.

perovskite_proton

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/skasamatsu/perovskite_proton
Update Date：2026-10-13 16:00:40

RCP_Analysis_of_Si_on_C001

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/RCP_Analysis_of_Si_on_C001
Update Date：2026-10-07 12:00:05

PHYSBO Gallery

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/physbo-dev/physbo-gallery
Update Date：2026-09-29 14:20:40

Data availability – Thermodynamic stability and ion-exchange kinetics of barium titanium oxyhydride BaTiO3−xHx from first principles calculations

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/s-muhammady/BTOH_DFT
Update Date：2026-09-25 10:11:13

rsc-agent

Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/rsc-agent
Update Date：2026-09-08 07:42:59