Advances in Chemical Physics

The cutting edge of research in chemical physics

Each volume of the Advances in Chemical Physics series discusses
aspects of the state of diverse subjects in chemical physics and
related fields, with chapters written by top researchers in the
field. 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, including
fundamentals, latest discoveries, applications, and emerging
avenues of research.

Volume 155 explores:

• Modeling viral capsid assembly

• Charges at aqueous interfaces, including the development of
  computational approaches in direct contact with the experiment

• Theory and simulation advances in solute precipitate
  nucleation

• A computational viewpoint of water in the liquid state

• Construction of energy functions for lattice heteropolymer
  models, including efficient encodings for constraint satisfaction
  programming and quantum annealing

Advances in Chemical Physics is ideal for introducing
novices to topics in chemical physics and serves as the perfect
supplement to any advanced graduate class devoted to its study. The
series also provides the foundation needed for more experienced
researchers to advance research studies.

Auteur

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

The cutting edge of research in chemical physics

Each volume of the Advances in Chemical Physics series discusses aspects of the state of diverse subjects in chemical physics and related fields, with chapters written by top researchers in the field. 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, including fundamentals, latest discoveries, applications, and emerging avenues of research.

Volume 155 explores:

• Modeling viral capsid assembly
• Charges at aqueous interfaces, including the development of computational approaches in direct contact with the experiment
• Theory and simulation advances in solute precipitate nucleation
• A computational viewpoint of water in the liquid state
• Construction of energy functions for lattice heteropolymer models, including efficient encodings for constraint satisfaction programming and quantum annealing
  Advances in Chemical Physics is ideal for introducing novices to topics in chemical physics and serves as the perfect supplement to any advanced graduate class devoted to its study. The series also provides the foundation needed for more experienced researchers to advance research studies.

Contenu

CONTRIBUTORS TO VOLUME 155 v

PREFACE TO THE SERIES vii

MODELING VIRAL CAPSID ASSEMBLY 1

By Michael F. Hagan

CHARGES AT AQUEOUS INTERFACES: DEVELOPMENT OF COMPUTATIONAL
APPROACHES IN DIRECT CONTACT WITH EXPERIMENT 69

By Robert Vácha, Frank Uhlig, and Pavel Jungwirth

SOLUTE PRECIPITATE NUCLEATION: A REVIEW OF THEORY AND SIMULATION
ADVANCES 97

By Vishal Agarwal and Baron Peters

WATER IN THE LIQUID STATE: A COMPUTATIONAL VIEWPOINT 161

By Toshiko Ichiye

CONSTRUCTION OF ENERGY FUNCTIONS FOR LATTICE HETEROPOLYMER
MODELS: EFFICIENT ENCODINGS FOR CONSTRAINT SATISFACTION PROGRAMMING
AND QUANTUM ANNEALING 201

By Ryan Babbush, Alejandro Perdomo-Ortiz, Bryan O'Gorman,
William Macready, and Alan Aspuru-Guzik

AUTHOR INDEX 245

SUBJECT INDEX 271