VQE algorithm for estimating the ground state energy and wave function for H2 molecule.
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Feb 10, 2021 - Jupyter Notebook
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vqe-h2
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This code was created as part of a bachelor's thesis in the field of mathematics. It extends the BOIS for VQE algorithm by introducing "immediate sharing" and enabling sharing between geometries whose Hamiltonians are extended in differing sets of Pauli strings.
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Apr 23, 2024 - Python
VQE for H2 Simulation using Clifford Ansatz
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Dec 11, 2022 - Jupyter Notebook
AI-driven generative quantum circuit design for molecular & materials discovery — GNN + Transformer + QD-GRPO reinforcement learning + CUDA-Q, validated on QPU hardware. GIC 2026.
reinforcement-learning transformers pytorch quantum-computing quantum-chemistry transformer-architecture gnn vqe transformer-models transformer-pytorch quantum-chemistry-simulation gnn-architectures vqe-h2 gnn-framework generative-ai quantum-computing-research cuda-quantum cuda-q generative-ai-agents quantum-computing-simulator
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Jul 24, 2026 - Python
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