Quantum Chemistry and Computing for the Curious. Explore quantum chemistry with Python and Qiskit through modern algorithms and real-world examples - Second Edition Dr. Keeper Layne Sharkey, Alain Chancé, Timothy A Akers
angielski
- Autorzy:
- Dr. Keeper Layne Sharkey, Alain Chancé, Timothy A Akers
- Serie wydawnicze:
- Hands-on
- Wydawnictwo:
- Packt Publishing
- Ocena:
- Stron:
- 492
- Dostępne formaty:
-
PDFePub
Opis
książki
:
Quantum Chemistry and Computing for the Curious. Explore quantum chemistry with Python and Qiskit through modern algorithms and real-world examples - Second Edition
You begin with core principles of quantum mechanics, quantum information, and molecular Hamiltonians, updated to incorporate the latest Qiskit capabilities. You then implement hybrid algorithms such as VQE using improved Python workflows. New to this edition, you will explore noise aware quantum chemistry, including error mitigation techniques and optimizer behavior in realistic simulations. The book also introduces quantum machine learning for molecular prediction and a new generation of quantum algorithms for chemistry, including Quantum Phase Estimation (QPE), Quantum Imaginary Time Evolution (QITE), quantum Lanczos and subspace methods, and sampling based approaches such as Sample based Quantum Diagonalization (SQD), Sample based Krylov Quantum Diagonalization (SKQD), and SqDRIFT, which combines SKQD with a qDRIFT style randomized compilation of the Hamiltonian propagator.
By the end of this book, you will be able to model molecular systems and apply modern quantum techniques with confidence.
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Szczegóły książki
- Tytuł oryginału:
- Quantum Chemistry and Computing for the Curious. Explore quantum chemistry with Python and Qiskit through modern algorithms and real-world examples - Second Edition
- ISBN Ebooka:
- 978-18-073-0466-9, 9781807304669
- Data wydania ebooka :
-
2026-07-28
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