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sharkey k quantum chemistry computing curious 2022

Type:: E-books
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Size:: 21.0 MB
Uploaded On:: June 29, 2022, 1:39 p.m.
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Info Hash:: 5FDEDCBF6F6A8F2F0024A6E0D2DB9C3225541A26

Textbook in PDF format Acquire knowledge of quantum chemistry concepts, the postulates of quantum mechanics, and the foundations of quantum computing, and execute illustrations made with Python code, Qiskit, and open-source quantum chemistry packages Key Features Be at the forefront of a quest for increased accuracy in chemistry applications and computing Get familiar with some open source quantum chemistry packages to run your own experiments Develop awareness of computational chemistry problems by using postulates of quantum mechanics Book Description Explore quantum chemical concepts and the postulates of quantum mechanics in a modern fashion, with the intent to see how chemistry and computing intertwine. Along the way you'll relate these concepts to quantum information theory and computation. We build a framework of computational tools that lead you through traditional computational methods and straight to the forefront of exciting opportunities. These opportunities will rely on achieving next-generation accuracy by going further than the standard approximations such as beyond Born-Oppenheimer calculations. Preface Introducing Quantum Concepts Postulates of Quantum Mechanics Quantum Circuit Model of Computation Molecular Hamiltonians Variational Quantum Eigensolver (VQE) Algorithm Beyond Born-Oppenheimer Conclusion References Glossary Appendix A. Readying Mathematical Concepts Appendix B. Leveraging Jupyter Notebooks on the Cloud Appendix C. Trademarks

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Sharkey K. Quantum Chemistry and Computing for the Curious 2022.pdf 21.0 MB

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sharkey k quantum chemistry computing curious 2022