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Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code

Język publikacji: angielskim
Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code Keeper L. Sharkey, Alain Chancé, Alex Khan - okladka książki

Quantum Chemistry and Computing for the Curious. Illustrated with Python and Qiskit® code Keeper L. Sharkey, Alain Chancé, Alex Khan - okladka książki

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354
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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.
Discover how leveraging quantum chemistry and computing is a key enabler for overcoming major challenges in the broader chemical industry. The skills that you will learn can be utilized to solve new-age business needs that specifically hinge on quantum chemistry

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O autorach książki

Keeper L. Sharkey, PhD is the founder and CEO of ODE, L3C, a social enterprise that serves through Quantum Science, Technology and Research, qSTAR. She is Chair of Quantum Applied Chemistry at Quantum Security Alliance. She obtained a PhD in Chemical Physics from the University of Arizona as a US National Science Foundation graduate research fellow, May 2015, and a Bachelor's of Science in both Mathematics and Chemistry, May 2010. She remains a Designated Scientific Research Campus Colleague at the University of Arizona. She published over 30 manuscripts in top peer-reviewed journals regarding non-Born-Oppenheimer quantum mechanical finite-nuclear mass variational algorithms and has been cited over 400 times; H-index and i10-index of 10
Alex is an advisor, entrepreneur, and educator in quantum computing. He currently heads QuantFi USA operations and is the CEO of ZebraKet, an Ontario based quantum startup in supply chain optimization. Alex has been working in quantum computing since 2018 and was the CPO at Chicago Quantum where he co-authored papers on portfolio optimization using D-Wave. He continues to be an advisor at QuSecure. As a Corporate Faculty, he teaches undergraduate to graduate level courses in quantum computing at Harrisburg University. He has participated in multiple hackathons, advised on a research paper on COVID optimization using quantum annealing, developed solutions for VR game optimization and NLP using D-Wave and has presented introductory topics in quantum computing at quantum meetups including using D-Wave and IonQ through Amazon Braket. Alex has over 20 years of experience providing IT solutions, developing products, and managing large IT initiatives in the healthcare and insurance industry. He is an engineering/physics dual major and received his BSME from Purdue University, MSME from KSU, MBA with Health Sector Management from Duke University and a certificate in quantum computing from MITxPro.

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