Usage & physics
This WebGL tool visualizes transport through a small set of sites using a Pauli master equation (PME) solver, showing tip current, charge and occupancy maps over bias and position.
Project: Prototype for PME modelling in molecular assemblies and STM junctions.
References:
Li, C. et al., "Negative differential conductance in triangular molecular assemblies", arXiv:2508.05575 (2025). doi:10.48550/arXiv.2508.05575.
Kir
61ansk
05s, G. et al., "QmeQ 1.0: An open-source Python package for calculations of transport through quantum dot devices", Comput. Phys. Commun. 221, 317d342 (2017). doi:10.1016/j.cpc.2017.07.024.
Code: github.com/gedaskir/qmeq.

Mode Single-particle min(E_i) Many-body ground-state E Ground-state tip current (proxy) PME: occupancy of site PME: total charge PME: tip current DEBUG: Es[0] DEBUG: rho[0] DEBUG: sum rho DEBUG: K[idx] DEBUG: rhs[idx] DEBUG: uW DEBUG: W effect DEBUG: nStates DEBUG: Es[3] DEBUG: Es[1]+Es[2]

Scan Mode XY (Top-down) XV (Position vs Bias)

Solver numeric.js our Gaussian Cramer (4x4)

site idx

I State

J State

-5.7850 0.0000 0.0000 -0.1000 5.7850 0.0000 0.0000 -0.1000 0.0000 -7.5200 0.0000 -0.1080 0.0000 7.5200 0.0000 -0.1080

Apply sites

Phase 1: gradient + visualization of site positions/energies. No PME physics yet.

Usage & references:
Pauli master-equation transport demo. See Li et al. (2025) and QmeQ.