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

About the Author

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
Alain Chance 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 ingenieur civil des Mines from Ecole des Mines de Saint-Etienne (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.
Alex is a quantum computing instructor at Harrisburg University. He has conducted research in financial portfolio optimization, using annealing and gate quantum computing leading to a stock picking service and cited papers as Chief Product Officer at Chicago Quantum. He manages the quantum penetration testing at QuSecure. He has been consulting on VR game environment optimization using D-Wave. He advised on fixed asset optimization using linear programming and quantum computing at Quantum Thought. He was also a researcher and advisor on a COVID optimization project using D-Wave annealing quantum computer. He is a former health IT executive and holds a BSME from Purdue, MSME from KSU, MBA from Duke and Quantum Computing certificate from MIT|xPro.