Advances in Chemical Physics, Volume 155

by Stuart A. Rice (Editor), Aaron R. Dinner (Editor)

Overview

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.

Product Details

ISBN-13:	9781118755914
Publisher:	Wiley
Publication date:	03/18/2014
Series:	Advances in Chemical Physics
Sold by:	JOHN WILEY & SONS
Format:	eBook
Pages:	304
File size:	3 MB

About the Author

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.

Read an Excerpt

INTRODUCTION

Few of us can any longer keep up with the flood of scientific literature, even in specialized subfields. Any attempt to do more and be broadly educated with respect to a large domain of science has the appearance of tilting at windmills. Yet the synthesis of ideas drawn from different subjects into new, powerful, general concepts is as valuable as ever, and the desire to remain educated persists in all scientists. This series, Advances in Chemical Physics, is devoted to helping the reader obtain general information about a wide variety of topics in chemical physics, a field that we interpret very broadly. Our intent is to have experts present comprenhensive analyses of subjects of interest and to encourage the expression of individual points of view. We hope that this approach to the presentation of an overview of a subject will both stimulate new research and serve as a personalized learning text for beginners in a field.

I. PRIGOGINE

STUART A. RICE

Table of Contents

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

What People are Saying About This

From the Publisher

"This book focuses on an interdisciplinary approach to pharmaceutical problems and does it well." (Journal of the American Chemical Society, March 25, 2009)

Introduction

INTRODUCTION

Few of us can any longer keep up with the flood of scientific literature, even in specialized subfields. Any attempt to do more and be broadly educated with respect to a large domain of science has the appearance of tilting at windmills. Yet the synthesis of ideas drawn from different subjects into new, powerful, general concepts is as valuable as ever, and the desire to remain educated persists in all scientists. This series, Advances in Chemical Physics, is devoted to helping the reader obtain general information about a wide variety of topics in chemical physics, a field that we interpret very broadly. Our intent is to have experts present comprehensive analyses of subjects of interest and to encourage the expression of individual points of view. We hope that this approach to the presentation of an overview of a subject will both stimulate new research and serve as a personalized learning text for beginners in a field.

Editorial Reviews

Specialists...explain recent developments for scientists working in other areas of chemical physics.

SciTech Book News

Four papers present an overview and analysis of Doppler spectroscopy used with photofragmentation; vibrational predissociation dynamics of Van der Waals complexes and product rotational state distributions; electron scattering by small molecules; and time-dependent semiclassical mechanics. For researchers and students in chemical physics. Annotation c. Book News, Inc., Portland, OR (booknews.com)

Booknews

Nine recent papers represent the current state of chemical physics. They discuss transition path sampling, chemical reaction dynamics, chaos, single molecule spectroscopy, self-similarity, electron- correlated approaches, the computational chemistry of acids, cooperative effects of hydrogen bonding, and nonadiabatic electron- transfer reactions. Numerous charts and graphs provide a visual display of the data. The contributors include chemical engineers, chemical biologists, and other scientists from the United States, Japan, Brazil, and Germany. Annotation c. Book News, Inc., Portland, OR

"Editor Stuart Rice is carrying on the fine tradition of the 'Advances in Chemical Physics' series by assembling authoritative reviews spanning a diverse range of topics in modern physical chemistry." (Journal of the American Chemical Society, June 23, 2004)

From the Publisher