Sharkey / Khan / Chancé Quantum Chemistry and Computing for the Curious

Illustrated with Python and Qiskit® code
1. Auflage 2022
ISBN: 978-1-80323-859-3
Verlag: De Gruyter
Format: EPUB
Kopierschutz: 0 - No protection

E-Book, Englisch, 354 Seiten

No detailed description available for "Quantum Chemistry and Computing for the Curious".

Autoren/Hrsg.

Sharkey, Keeper Layne

Khan, Alex

Sharkey, Keeper L.

Chancé, Alain

Fachgebiete

• Mathematik | Informatik EDV | Informatik Informatik
• Mathematik | Informatik Mathematik Algebra Zahlentheorie

Inhaltsverzeichnis

Table of Contents - Introduction
- Postulates of quantum mechanics
- Quantum circuit model of computation
- Molecular Hamiltonians
- Variational Quantum Eigensolver (VQE) algorithm
- Beyond Born-Oppenheimer
- Conclusion
- References
- Glossary

Über Autor(innen)

Sharkey Keeper Layne:

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 10Khan Alex:

Alex Khan is an advisor, entrepreneur, and educator in quantum computing. He is CEO of ZebraKet, a Canadian startup in supply chain optimization using quantum methods. He has had roles at Chicago Quantum, where he co-authored papers on portfolio optimization using D-Wave, Harrisburg University where he taught quantum computing, and at QuantFi. He continues to be an advisor at QuSecure. Alex is an experienced Health IT executive. 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. He has been recognized by The Quantum Daily as one of the 126 advisors shaping the Quantum Computing Industry.Chancé Alain:

Alain Chancé is Business advisor ODE, L3C and founder & CEO Quantalain SASU, a management consulting startup. He has over 30 years of experience in major enterprise transformation projects with a focus on data management and governance gained in major management consulting firms. He has a diploma ingénieur civil des Mines from École des Mines de Saint-Étienne (1981). Alain is co-speaker with Dr. Keeper Sharkey of the event: Next-Generation accuracy for quantum computational chemistry: introducing QLEAN™, Quantum Business Europe 2022. Alain is a Qiskit® Advocate and is an IBM Certified Associate Developer - Quantum Computation using Qiskit® v0.2X since 2021. He has completed a number of hackathons pertaining to quantum computing since 2018.