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 inAdvances 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 assemblyCharges at aqueous interfaces, including the development of computational approaches in direct contact with the experimentTheory and simulation advances in solute precipitate nucleationA computational viewpoint of water in the liquid stateConstruction 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.

STUART A. RICE received his masters 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 bachelors 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.

CONTRIBUTORS TO VOLUME 155 v

PREFACE TO THE SERIES vii

MODELING VIRAL CAPSID ASSEMBLY 1By Michael F. Hagan

CHARGES AT AQUEOUS INTERFACES: DEVELOPMENT OF COMPUTATIONAL APPROACHES IN DIRECT CONTACT WITH EXPERIMENT 69By Robert Vácha, Frank Uhlig, and Pavel Jungwirth

SOLUTE PRECIPITATE NUCLEATION: A REVIEW OF THEORY AND SIMULATION ADVANCES 97By Vishal Agarwal and Baron Peters

WATER IN THE LIQUID STATE: A COMPUTATIONAL VIEWPOINT 161By Toshiko Ichiye

CONSTRUCTION OF ENERGY FUNCTIONS FOR LATTICE HETEROPOLYMER MODELS: EFFICIENT ENCODINGS FOR CONSTRAINT SATISFACTION PROGRAMMING AND QUANTUM ANNEALING 201By Ryan Babbush, Alejandro Perdomo-Ortiz, Bryan OGorman, William Macready, and Alan Aspuru-Guzik

AUTHOR INDEX 245

SUBJECT INDEX 271