Advances in Chemical Physics

“The Advances in Chemical Physics” series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of “The Advances in Chemical Physics” series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) • Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) • Confocal depolarized dynamic light scattering (M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio) • The two-step mechanism and the solution-crystal spinodal for nucleation of crystals in solution (Peter G. Vekilov) • Experimental studies of two-step nucleation during two-dimensional crystallization of colloidal particles with short-range attraction (John R. Savage, Liquan Pei, and Anthony D. Dinsmore) • On the role of metastable intermediate states in the homogeneous nucleation of solids from solution (James F. Lutsko) • Effects of protein size on the high-concentration/low-concentration phase transition (Patrick Grosfils) • Geometric constraints in the self-assembly of mineral dendrites and platelets (John J. Kozak) • What can mesoscopic level in situ observations teach us about kinetics and thermodynamics of protein crystallization? (Mike Sleutel, Dominique Maes, and Alexander Van Driessche) • The ability of silica to induce biomimetic crystallization of calcium carbonate (Matthias Kellermeier, Emilio Melero-GarcÍa, Werner Kunz, and Juan Manuel GarcÍa-Ruiz)

The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics. • Includes contributions from experts in this field of research. • Contains a representative cross-section of research that questions established thinking on chemical solutions • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.

The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics. • Includes contributions from experts in this field of research. • Contains a representative cross-section of research that questions established thinking on chemical solutions • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics

This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This volume continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Discover the experimental and theoretical developments in optical single-molecule spectroscopy that are changing the ways we think about molecules and atoms. “The Advances in Chemical Physics” series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This latest volume explores the advent of optical single-molecule spectroscopy, and how atomic force microscopy has empowered novel experiments on individual biomolecules, opening up new frontiers in molecular and cell biology and leading to new theoretical approaches and insights. Organized into two parts-one experimental, the other theoretical-this volume explores advances across the field of single-molecule biophysics, presenting new perspectives on the theoretical properties of atoms and molecules. Single-molecule experiments have provided fresh perspectives on questions such as how proteins fold to specific conformations from highly heterogeneous structures, how signal transductions take place on the molecular level, and how proteins behave in membranes and living cells. This volume is designed to further contribute to the rapid development of single-molecule biophysics research. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the “Advances in Chemical Physics” series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

“The Advances in Chemical Physics” series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of “The Advances in Chemical Physics” series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Hydrogen Bond Topology and Proton Ordering in Ice and Water Clusters (Sherwin J. Singer and Chris Knight) • Molecular Inner-Shell Spectroscopy, Arpis Technique and Its Applications (Eiji Shigemasa and Nobuhiro Kosugi) • Geometric Optimal Control of Simple Quantum Systems: Geometric Optimal Control Theory (Dominique Sugny) • Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets (D. A. Garanin) • A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging (Jennie Cooke)

“The Advances in Chemical Physics” series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of “The Advances in Chemical Physics” series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Control of Quantum Phenomena (Constantin Brif, Raj Chakrabarti, and Herschel Rabitz) • Crowded Charges in Ion Channels (Bob Eisenberg) • Colloidal Crystallization Between Two and Three Dimensions (H. Löwen, E.C. Oguz, L. Assoud, and R. Messina) • Statistical Mechanics of Liquids and Fluids in Curved Space (Gilles Tarjus, FranÇois Sausset, and Pascal Viot)

“The Advances in Chemical Physics” series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of “The Advances in Chemical Physics” series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic Systems (Kopin Liu) • The Multiscale Coarse-Graining Method (Lanyuan Lu and Gregory A. Voth) • Molecular Solvation Dynamics from Inelastic X-ray Scattering Measurements (R.H. Coridan and G.C.L. Wong) • Polymers Under Confinement (M. Muthukumar) • Computational Studies of the Properties of DNA-linked Nanomaterials (One-Sun Lee and George C. Schatz) • Nanopores: Single-Molecule Sensors of Nucleic Acid Based Complexes (Amit Meller)

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Multidimensional Incoherent Time-Resolved Spectroscopy and Complex Kinetics (Mark A. Berg) • Complex Multiconfigurational Self-Consistent Field-Based Methods to Investigate Electron-Atom/Molecule Scattering Resonances (Kousik Samanta and Danny L. Yeager) • Determination of Molecular Orientational Correlations in Disordered Systems from Diffraction Data (Szilvia Pothoczki, László Temleitner, and László Pusztai) • Recent Advances in Studying Mechanical Properties of DNA (Reza Vafabakhsh, Kyung Suk Lee, and Taekjip Ha) • Viscoelastic Subdiffusion: Generalized Langevin Equation Approach (Igor Goychuk) • Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics (Xiongwu Wu, Ana Damjanovic, and Bernard R. Brooks)

“The Advances in Chemical Physics” series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of “The Advances in Chemical Physics” series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: • Electron Spin Resonance Studies of Supercooled Water • Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ϱ, T) Space • Water Proton Environment: A New Water Anomaly at Atomic Scale? • Polymorphism and Anomalous Melting in Isotropic Fluids • Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism

Detailed reviews of new and emerging topics in chemical physics presented by leading experts 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. Volume 153 of Advances in Chemical Physics features six expertly written contributions: • Recent advances of ultrafast X-ray absorption spectroscopy for molecules in solution • Scaling perspective on intramolecular vibrational energy flow: analogies, insights, and challenges • Longest relaxation time of relaxation processes for classical and quantum Brownian motion in a potential escape rate theory approach • Local fluctuations in solution: theory and applications • Macroscopic effects of microscopic heterogeneity • Ab initio methodology for pseudospin Hamiltonians of anisotropic magnetic centers 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. Advances in Chemical Physics is ideal for introducing novices to topics in chemical physics. Moreover, the series provides the foundation needed for more experienced researchers to advance their own research studies and continue to expand the boundaries of our knowledge 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.

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.

Based on the '240' Conference held at the University of Chicago in September of 2012, this special volume of The Advances in Chemical Physics series celebrates scientific research contributions and careers of R. Stephen Berry, Stuart A. Rice and Joshua Jortner. In addition to continuing the chemical physics field with a forum for critical, authoritative evaluations of advances in the discipline, Volume 157 explores the following topics: The Emergence and Breakdown of Complexity Dynamics at Extremes Grand Questions Regarding Biomolecular Homochirality in the Origin and Evolution of Life The book: • celebrates the scientific research contributions and careers of R. Stephen Berry, Stuart A. Rice and Joshua Jortner • contributes to the only series available that presents the cutting edge of research in chemical physics • includes contributions from experts in this field of research • structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics

This volume of “Advances in Chemical Physics” is dedicated, by the contributors, to Moshe Shapiro, formerly Canada Research Chair in Quantum Control in the Department of Chemistry at the University of British Columbia and Jacques Mimran Professor of Chemical Physics at the Weizmann Institute, who passed away on December 3, 2013. It focuses primarily on the interaction of light with molecules, one of Moshe's longstanding scientific loves. However, the wide range of topics covered in this volume constitutes but a small part of Moshe's vast range of scientific interests, which are well documented in over 300 research publications and two books.

“The Advances in Chemical Physics” series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This volume explores the following topics: • Thermodynamic Perturbation Theory for Associating Molecules • Path Integrals and Effective Potentials in the Study of Monatomic Fluids at Equilibrium • Sponteneous Symmetry Breaking in Matter Induced by Degeneracies and Pseudogeneracies • Mean-Field Electrostatics Beyond the Point-Charge Description • First Passage Processes in Cellular Biology • Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydroen-Bonded Systems

“Advances in Chemical Physics” is the only series of volumes available that explores the cutting edge of research in chemical physics. • This is the only series of volumes available that presents the cutting edge of research in chemical physics. • Includes contributions from experts in this field of research. • Contains a representative cross-section of research that questions established thinking on chemical solutions. • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.

“The Advances in Chemical Physics” series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics

“The Advances in Chemical Physics” series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This volume explores topics from Thermodynamic Properties of Polyelectrolyte Solutions to ion-binding of polyelectrolytes. The book features: • The only series of volumes available that presents the cutting edge of research in chemical physics • Contributions from experts in this field of research • Representative cross-section of research that questions established thinking on chemical solutions • An editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics