Split operator wave packet propagation in Python
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Updated
Oct 26, 2026 - Jupyter Notebook
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split-operator
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This work simulates the 1D Schrödinger equation via Qiskit circuits, modeling particle time evolution in zero and harmonic potentials. We benchmark 2 to 12 qubits against classical solutions, evaluating accuracy via expectation values and various error metrics.
quantum-computing physics-simulation schrodinger-equation qiskit physics-simulations schrodinger-equation-simulation quantum-computing-research quantum-computing-simulation trotterization split-operator
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Jul 30, 2026 - Jupyter Notebook
Time-dependent quantum dynamics of H₂ on metal surfaces in six dimensions (Z, r, x, y, θ, φ): split-operator + FFT/DVR grids, S-matrix and state-to-state reaction/scattering probabilities. Modern C++20 port of SPO-DVR, CPU (OpenMP) and GPU (CUDA).
hpc gpu openmp cuda computational-chemistry scientific-computing fftw fortran-to-cpp cufft cpp20 surface-science quantum-dynamics chemical-physics onemkl potential-energy-surface split-operator wave-packet molecule-surface-scattering dissociative-chemisorption
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Nov 14, 2026 - C++
Python package for time-dependent wave-packet transport in 2D Dirac and Weyl systems. Supports tilted, anisotropic cones, arbitrary barrier geometries, valley chirality, and intervalley coupling via a split-operator Fourier scheme on a uniform grid.
python graphene computational-physics fft condensed-matter quantum-transport weyl-semimetal valleytronics wave-packets borophene split-operator
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Apr 19, 2026 - Python
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