Advances in Chemical Physics, Volume 155

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.

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

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.