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Search results for optimization quantum chemistry
optimization
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quantum-chemistry
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7 search results found
Pennylane
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2,022
PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.
Geometric
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125
Geometry optimization code that includes the TRIC coordinate system
Pysisyphus
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73
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Chemtools
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16
Python tools for quantum chemical calculations
Readuct
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16
Book_about_quadratization
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16
Open collaborative book on quadratization in discrete optimization and quantum mechanics.
Cvqe
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5
Quantum snake algorithm: Collective variational quantum eigensolvers for quantum chemistry
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