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Category	Electronic structure (solid state physics)(25) Electronic structure (quantum chemistry)(1) Molecular dynamics(5) Strong correlation/effective models(21) Continuum models(0) Machine learning(8) Quantum computing(1) Others(8)
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Recently Added

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

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.

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.

Model parameters for the ambient-pressure organic Dirac electron state in α-(BETS)₂AuCl₂: This repository contains model parameters for the tight-binding description of the ambient-pressure Dirac electron state in α-(BETS)₂AuCl₂.
These parameters are constructed to reproduce the quasi-three-dimensional massive Dirac semimetal electronic structure identified by first-principles calculations including spin–orbit coupling, and are intended for reuse in theoretical and computational studies.

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：2026-08-06 13:56:59

activePotts: Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/hiroshi.noguchi/activePotts
Update Date：2026-08-03 21:20:50

PHYSBO Gallery: Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/physbo-dev/physbo-gallery
Update Date：2026-07-27 16:42:26

rp-instability-data: Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/kaityo256/rt-instability-data
Update Date：2026-07-24 14:07:26

ODAT-SE gallery: Project URL：https://isspns-gitlab.issp.u-tokyo.ac.jp/takeohoshi/odat-se-gallery
Update Date：2026-07-16 13:52:48