Quantum Information and Computation for Chemistry

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.

Auteur

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.

Résumé

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.

Contenu

CONTRIBUTORS TO VOLUME 154 v

FOREWORD ix

PREFACE TO THE SERIES xiii

INTRODUCTION TO QUANTUM INFORMATION AND COMPUTATION FOR
CHEMISTRY 1

By Sabre Kais

BACK TO THE FUTURE: A ROADMAP FOR QUANTUM SIMULATION FROM
VINTAGE QUANTUM CHEMISTRY 39

By Peter J. Love

INTRODUCTION TO QUANTUM ALGORITHMS FOR PHYSICS AND CHEMISTRY
67

By Man-Hong Yung, James D. Whitfield, Sergio Boixo, David G.
Tempel, and Alan Aspuru-Guzik

QUANTUM COMPUTING APPROACH TO NONRELATIVISTIC AND RELATIVISTIC
MOLECULAR ENERGY CALCULATIONS 107

By Libor Veis and Jiri Pittner

DENSITY FUNCTIONAL THEORY AND QUANTUM COMPUTATION 137

By Frank Gaitan and Franco Nori

QUANTUM ALGORITHMS FOR CONTINUOUS PROBLEMS AND THEIR
APPLICATIONS 151

By A. Papageorgiou and J. F. Traub

ANALYTIC TIME EVOLUTION, RANDOM PHASE APPROXIMATION, AND GREEN
FUNCTIONS FOR MATRIX PRODUCT STATES 179

By Jesse M. Kinder, Claire C. Ralph, and Garnet Kin-Lic
Chan

FEW-QUBIT MAGNETIC RESONANCE QUANTUM INFORMATION PROCESSORS:
SIMULATING CHEMISTRY AND PHYSICS 193

By Ben Criger, Daniel Park, and Jonathan Baugh

PHOTONIC TOOLBOX FOR QUANTUM SIMULATION 229

By Xiao-Song Ma, Borivoje Daki c, and Philip
Walther

PROGRESS IN COMPENSATING PULSE SEQUENCES FOR QUANTUM COMPUTATION
241

By J. True Merrill and Kenneth R. Brown

REVIEW OF DECOHERENCE-FREE SUBSPACES, NOISELESS SUBSYSTEMS, AND
DYNAMICAL DECOUPLING 295

By Daniel A. Lidar

FUNCTIONAL SUBSYSTEMS AND STRONG CORRELATION IN PHOTOSYNTHETIC
LIGHT HARVESTING 355

By David A. Mazziotti and Nolan Skochdopole

VIBRATIONAL ENERGY TRANSFER THROUGH MOLECULAR CHAINS: AN
APPROACH TOWARD SCALABLE INFORMATION PROCESSING 371

By C. Gollub, P. von den Hoff, M. Kowalewski, U. Troppmann, and
R. de Vivie-Riedle

ULTRACOLD MOLECULES: THEIR FORMATION AND APPLICATION TO QUANTUM
COMPUTING 403

By Robin Cote

DYNAMICS OF ENTANGLEMENT IN ONE- AND TWO-DIMENSIONAL SPIN
SYSTEMS 449

By Gehad Sadiek, Qing Xu, and Sabre Kais

FROM TOPOLOGICAL QUANTUM FIELD THEORY TO TOPOLOGICAL MATERIALS
509

By Paul Watts, Graham Kells, and Jiri Vala

TENSOR NETWORKS FOR ENTANGLEMENT EVOLUTION 567

By Sebastian Meznaric and Jacob Biamonte

AUTHOR INDEX 581

SUBJECT INDEX 615