Allegro-pol extends the Allegro architecture to model the electric response of materials
Ferroelectric/Ferroelastic domain wall builder
Open-source MOOSE application "Ferret" for parallel mesoscale simulations of ferroic and related electronic materials
Correlations of polarization and depolarization fields in ferroelectrics
Learning polar-nonpolar phase competition for LLM-planned ferroelectric crystal generation
KNbO3 core-shell dislocation simulations in LAMMPS: adapting Type A–E geometries from SrTiO3 research. Contributions welcome in model validation, crystallography and reproducible workflows.
Open-source multiscale simulation of strain-augmented CuInP2S6/WSe2 p-type ferroelectric FETs: calibrated two-valley strained transport, multidomain Preisach + Landau-Khalatnikov CIPS model, self-consistent MFMIS electrostatics, and complementary nonvolatile logic (power-loss restore, SNM, delay, energy). Reproduces every figure of the paper.
Hybrid-Quantum Dynamics Analysis: a zero-base framework for ferroelectric phase transitions in PbTiO3, coupling VASP DFT baselines with ab initio molecular dynamics and DeepMD potentials, plus finite-size scaling to extrapolate the transition temperature.
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