Quantum Information and Computation for Chemistry

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Sabre Kais
John Wiley & Sons, Jan 31, 2014 - Science - 682 pages

Examines the intersection of quantum information and chemical physics

The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics.

This volume of the series explores the latest research findings, applications, and new research paths from the quantum information science community. It examines topics in quantum computation and quantum information that are related to or intersect with key topics in chemical physics. The reviews address both what chemistry can contribute to quantum information and what quantum information can contribute to the study of chemical systems, surveying both theoretical and experimental quantum information research within the field of chemical physics.

With contributions from an international team of leading experts, Volume 154 offers seventeen detailed reviews, including:

  • Introduction to quantum information and computation for chemistry
  • Quantum computing approach to non-relativistic and relativistic molecular energy calculations
  • Quantum algorithms for continuous problems and their applications
  • Photonic toolbox for quantum simulation
  • Vibrational energy and information transfer through molecular chains
  • Tensor networks for entanglement evolution

Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic: the fundamentals as well as the latest discoveries, applications, and emerging avenues of research. Extensive cross-referencing enables readers to explore the primary research studies underlying each topic.


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Adiabatic Quantum Computing
A Roadmapfor Quantum Simulation
Quantum Full Configuration Interaction Method
Application to Nonrelativistic Molecular Hamiltonians
Density Functional Theory and Quantum Computation
Progress in Compensating Pulse Sequences for Quantum
Functional Subsystemsand StrongCorrelation
Dynamics of Entanglement in Oneand TwoDimensional
Dynamics of Entanglement in TwoDimensional Spin
Author Index

Analytic Time Evolution Random Phase Approximation
Simulating Chemistry andPhysics
Subject Index

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About the author (2014)

SABRE KAIS received his PhD in Chemical Physics from the Hebrew University in 1989. Since 2002, he has been a full professor of Chemical Physics at Purdue University. He has courtesy professorship appointments at both the Department of Computer Science and the Department of Physics at Purdue, is a member of Qatar Environment and Energy Research Institute, and is External Professor at Santa Fe Institute. Recently, with his colleagues, he established a new center, Quantum Information for Quantum Chemistry (QIQC).

STUART A. RICE received his master’s degree and doctorate from Harvard University and was a junior fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957, where he is currently the Frank P. Hixon Distinguished Service Professor Emeritus.

AARON R. DINNER received his bachelor’s degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkeley. He joined the faculty at The University of Chicago in 2003.

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