Proceedings of the 240 Conference E-Book

• Herausgeber: John Wiley & Sons
• Kategorie: Wissenschaft und neue Technologien
• Serie: Advances in Chemical Physics
• Sprache: Englisch

Seitenzahl: 654

Veröffentlichungsjahr: 2014

Beschreibung

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

Leseprobe

EDITORIAL BOARD

KURT BINDER, Condensed Matter Theory Group, Institut Für Physik, Johannes Gutenberg-Universität, Mainz, Germany

WILLIAM T. COFFEY, Department of Electronic and Electrical Engineering, Printing House, Trinity College, Dublin, Ireland

KARL F. FREED, Department of Chemistry, James Franck Institute, University of Chicago, Chicago, Illinois, USA

DAAN FRENKEL, Department of Chemistry, Trinity College, University of Cambridge, Cambridge, UK

PIERRE GASPARD, Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Brussels, Belgium

MARTIN GRUEBELE, Departments of Physics and Chemistry, Center for Biophysics and Computational Biology, University of Illinois at Urbana–Champaign, Urbana, Illinois, USA

GERHARD HUMMER, Theoretical Biophysics Section, NIDDK-National Institutes of Health, Bethesda, Maryland, USA

RONNIE KOSLOFF, Department of Physical Chemistry, Institute of Chemistry and Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem, Israel

KA YEE LEE, Department of Chemistry, James Franck Institute, University of Chicago, Chicago, Illinois, USA

TODD J. MARTINEZ, Department of Chemistry, Photon Science, Stanford University, Stanford, California, USA

SHAUL MUKAMEL, Department of Chemistry, School of Physical Sciences, University of California, Irvine, California, USA

JOSE N. ONUCHIC, Department of Physics, Center for Theoretical Biological Physics, Rice University, Houston, Texas, USA

STEPHEN QUAKE, Department of Bioengineering, Stanford University, Palo Alto, California, USA

MARK RATNER, Department of Chemistry, Northwestern University, Evanston, Illinois, USA

DAVID REICHMAN, Department of Chemistry, Columbia University, New York City, New York, USA

GEORGE SCHATZ, Department of Chemistry, Northwestern University, Evanston, Illinois, USA

STEVEN J. SIBENER, Department of Chemistry, James Franck Institute, University of Chicago, Chicago, Illinois, USA

ANDREI TOKMAKOFF, Department of Chemistry, James Franck Institute, University of Chicago, Chicago, Illinois, USA

DONALD G. TRUHLAR, Department of Chemistry, University of Minnesota, Minneapolis, Minnesota, USA

JOHN C. TULLY, Department of Chemistry, Yale University, New Haven, Connecticut, USA

PROCEEDINGS OF THE 240 CONFERENCE: SCIENCE'S GREAT CHALLENGES

ADVANCES IN CHEMICAL PHYSICS VOLUME 157

Edited by

AARON R. DINNER

Series Editors

STUART A. RICE

Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois

AARON R. DINNER

Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois

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Library of Congress Cataloging-in-Publication Data:

240 Conference (2012 : University of Chicago) Proceedings of the 240 Conference : science's great challenges / edited by Aaron R. Dinner. pages cm. – (Advances in chemical physics ; 330) Includes bibliographical references and index. ISBN 978-1-118-95959-6 (hardback) 1. Chemistry, Physical and theoretical–Congresses. 2. Research–Congresses. I. Dinner, Aaron R. (Aaron Reuven), editor. II. Berry, R. Stephen, 1931- honouree. III. Rice, Stuart Alan, 1932- honouree. IV. Jortner, Joshua, honouree. V. Title. QD455.5.A14 2012 541′.2–dc23

2014032927

CONTRIBUTORS TO VOLUME 157

BJARNE ANDRESEN, Niels Bohr Institute, University of Copenhagen, Copenhagen, Denmark

KLAUS R. BARTSCHAT, Department of Physics and Astronomy, Drake University, Des Moines, Iowa, USA

LEE A. COLLINS, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA

D. CONSTALES, Department of Mathematical Analysis, Ghent University, Ghent, Belgium

AARON R. DINNER, Department of Chemistry and the James Franck Institute, The University of Chicago, Chicago, Illinois, USA

DAVID FEDER, Department of Physics and Astronomy, The University of Calgary, Alberta, Canada

XIAOXU GUAN, Department of Physics and Astronomy, Drake University, Des Moines, Iowa, USA

ANDREAS HEIDENREICH, Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), and Donostia International Physics Center (DIPC), Donostia-San Sebastian, Spain; IKERBASQUE, Basque Foundation for Science, Bilbao, Spain

KARL HEINZ HOFFMANN, Institute of Physics, Chemnitz University of Technology, Chemnitz, Germany

JULIUS JELLINEK, Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois, USA

RONNIE KOSLOFF, Institute of Chemistry and the Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem, Israel

SYDNEY LEACH, Laboratoire d'Etude du Rayonnement et de la Matiére en Astrophysique (LERMA), Observatoire de Paris-Meudon, France

DAVID M. LEITNER, Department of Chemistry and Chemical Physics Program, University of Nevada, Reno, Nevada, USA

G. B. MARIN, Laboratory for Chemical Technology, Ghent University, Ghent, Belgium

C. NICOLIS, Institut Royal M'et'eorologique de Belgique, Brussels, Belgium

GREGOIRE NICOLIS, Interdisciplinary Center for Nonlinear Phenomena and Complex Systems, Universitè Libre de Bruxelles, Brussels, Belgium

ABRAHAM NITZAN, School of Chemistry, Tel Aviv University, Tel Aviv, Israel

JAMES D. NULTON, Department of Mathematics and Statistics, San Diego State University, San Diego, California, USA

KENJI OHMORI, Department of Photo-Molecular Science, Institute for Molecular Science (IMS), National Institutes of Natural Sciences, Myodaiji, Okazaki, Japan

MARTIN QUACK, Laboratorium für Physikalische Chemie, ETH Zürich, Zürich, Switzerland

FOREST L. ROHWER, Department of Biology, San Diego State University, San Diego, California, USA

PETER SALAMON, Department of Mathematics and Statistics, San Diego State University, San Diego, California, USA

BARRY I. SCHNEIDER, Office of Cyberinfrastructure, The National Science Foundation, Arlington, Virginia, USA

J. CHRISTIAN SCHÖN, Max Planck Institute for Solid State Research, Stuttgart, Germany

ANCA M. SEGALL, Department of Biology, San Diego State University, San Diego, California, USA

JOHN C. TULLY, Departments of Chemistry, Physics and Applied Physics, Yale University, New Haven, Connecticut, USA

JOHN D. WEEKS, Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USA

JOHN WEINER, Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, São Paulo, Brazil

G. S. YABLONSKY, Parks College of Engineering, Aviation and Technology, Saint Louis University, Saint Louis, Missouri, USA

LINDA YOUNG, Argonne National Laboratory, Argonne, Illinois, USA

PREFACE

This volume seeks to capture the spirit of the “240” Conference, a gathering held September 13–15, 2012, at The University of Chicago to celebrate the combined eightieth birthdays of R. Stephen Berry, Stuart A. Rice, and Joshua Jortner. This meeting was explicitly designed to be forward-looking, focusing on important open problems in chemical physics and related areas of science in order to identify gaps in fundamental knowledge. This goal is a fitting one given that the profound influence the honorees have had on chemical physics comes in no small part from their ability to ask questions that others have failed to appreciate were unanswered. Indeed, their pursuit of “what could (and should) be” over “what is” goes well beyond their scientific research and characterizes all aspects of Steve's, Stuart's, and Joshua's careers, including their major roles in administration and policy.

Given the breadth of research topics to which Steve, Stuart, and Joshua have made significant contributions during their careers, it is not surprising that the essays in this volume are diverse. They are organized loosely according to the sessions at the meeting: the Emergence and Breakdown of Complexity, Dynamics at Extremes, and Grand Questions (Origins of Life and the Chemical Universe). A theme that clearly emerges is the continuing importance of thermodynamics. Other readers will no doubt find common threads of their own that can serve to guide their research. This volume and the meeting that stimulated it is a tribute from their participants to Steve, Stuart, and Joshua; readers can further contribute to that tribute by going forth with open minds and discovering the problems and ultimately solutions of twenty-first-century chemical physics, broadly defined.

AARON R. DINNER The University of Chicago, July 2013

SESSIONS AT THE “240” Conference (September 13–15, 2012)

I. The emergence and breakdown of complexity

IA. Features of complexity

IB. Transition from atoms to clusters and to condensed matter.

IC. Properties of reaction networks

ID. The emergence of simplicity from complexity

II. Dynamics at extremes

IIA. Ultrafast nuclear dynamics

IIB. Chemistry in ultraintense laser fields

IIC. Coulomb explosion and high-energy chemistry

IID. Structure, function, and dynamics relations for nanostructures

IIE. Thermal and electric transport in nanostructures

IIF. Chemical dynamics in the ultracold world

IIG. Elementary excitations in ultracold, finite systems

III. Grand Questions

IIIA. Origins of life

IIIB. The chemical universe

CONTENTS

Part I: The Emergence and Breakdown of Complexity

Chapter 1: Features of Complexity

I. Introduction

II. The Emergence of Classical Dynamics from the Underlying Quantum Laws

III. The Emergence of Thermodynamical Phenomena

IV. Perspective

Acknowledgments

References

Discussion

Chapter 2: Exploring Quantum-Classical Boundary

I. Motivation

II. Development of Experimental Tools

III. Toward the Quantum-Classical Boundary

Acknowledgements

References

Discussion

Chapter 3: Transition from Atoms to Clusters to Condensed Matter

Acknowledgments

References

Discussion

Chapter 4: Free Energies of Staging a Scenario and Perpetual Motion Machines of the Third Kind

I. Introduction

II. Perpetual Motion Machines of the Third Kind

III. The Free Energy Cost of Staging A Scenario

IV. Near PM3 Processes

V. Energy Sources for Staging

VI. Conclusions

Acknowledgments

References

Notes

Chapter 5: Finite-Time Thermodynamics Tools to Analyze Dissipative Processes

I. Introduction

II. Tricycles

III. Thermodynamic Length

IV. Work Deficiency

V. Accounting for Staging Free Energy with Network Thermodynamics

VI. Conclusion

References

Note

Chapter 6: New Types of Complexity in Chemical Kinetics: Intersections, Coincidences, and Special Symmetrical Relationships

I. Introduction

II. Intersections and Coincidences

III. Dual Experiments and Joint Kinetics

IV. Conclusions

References

Chapter 7: Opportunities in the Area of Noise in Biological Reaction Networks

I. Inferring Regulatory Relationships from Noise

II. Noise that is Integral to Biological Function

III. Energy Use

Acknowledgments

References

Discussion

Chapter 8: Thermodynamic Approach to Chemical Networks

I. Introduction

II. The Classical Setting

III. Thermodynamic Signatures and Their Limitations

IV. Mesoscopic-Level Description

V. Stochastic Thermodynamics

VI. Dynamical Systems as Networks

VII. Information Processing

VIII. Conclusions

Acknowledgments

References

Chapter 9: On the Emergence of Simple Structures in Complex Phenomena: Concepts and Some Numerical Examples

I. Introduction: Structures in “Spectra of Numbers” Motto: Simplex Sigillum Veri [1]

II. Statistical Properties of Numbers and Spectra

III. Structures in Time-Dependent Dynamics

IV. Conclusions and Outlook

Acknowledgment

References

Discussion

Note

Chapter 10: The Emergence of Simplicity from Complexity

References

Part II: Dynamics At Extremes

Chapter 11: On the Way to a Theory of Solid State Synthesis: Issues and Open Questions

I. Motivation and General Research Program for a Theory of Solid State Synthesis

II. Open Questions and Challenges

III. Conclusion

References

Notes

Chapter 12: Beyond Molecular Conduction: Optical and Thermal Effects in Molecular Junctions

I. Introduction

II. Heating and Heat Conduction

III. Junction Optoelectronics

IV. Concluding Remarks

Acknowledgments

References

Discussion

Notes

Chapter 13: Thermal Conductance at the Interface Between Molecules

Acknowledgments

References

Chapter 14: Laser Energy Deposition in Nanodroplets and Nuclear Fusion Driven by Coulomb Explosion

I. Introduction

II. Simulation of Fusion Reaction Yields and Efficiencies

III. Analysis of Nanodroplet Energetics and Fusion Efficiencies

IV. Conclusions

Acknowledgments

References

Chapter 15: Understanding ultraintense x-ray interactions with matter

I. X-Ray Free-Electron Lasers: Present Status

II. Atomic and Molecular Response to Ultraintense X-Ray Pulses

III. Femtosecond Nanocrystallography

IV. Outstanding Challenges

References

Discussion

Chapter 16: Time-Dependent Computational Methods for Matter Under Extreme Conditions

I. Introduction

II. Methodology

III. Some Like it Hot and Some Like it Cold

IV. Diatomic Molecules Exposed to Ultrashort, Intense, Laser Radiation

V. Conclusion

VI. A Few Personal and Historical Remarks by Barry Schneider

Acknowledgments

References

Notes

Chapter 17: Elementary Excitations in Ultracold Finite Systems

I. Introduction

II. Bose–Einstein Condensate Physics Primer

III. Turbulence in Bose–Einstein Condensates

IV. Condensate Dynamics in Reduced Dimensions: The Tonks-Girardeau Gas in 1D

V. BCS–BEC Crossover and the Feshbach Resonance

VI. Many-Body Physics in Optical Lattices

VII. Synthetic Gauge Fields with Quantum Gases

VIII. The Simulation of Graphene Physics by Quantum Cold Matter in Optical Lattices

IX. Summary

Acknowledgments

References

Discussion

Part III: Grand Questions

Chapter 18: On Biomolecular Homochirality as a Quasi-Fossil of the Evolution of Life

I. Introduction

II. Some Facts of Life

III. Symmetries and Asymmetries in the Present World

IV. Current Status of Theory and Experiment for Parity Violation in Chiral Molecules

V. The Origin and Significance of Biomolecular Homochirality

VI. Dead or Alive, Dark Matter, Cosmology and the World Game: Concluding Remarks and Speculations

Acknowledgment

Appendix

References

Discussion

Notes

Chapter 19: Origins of Life

I. Preliminary Philosophical Remarks

II. Energy and Material Sources

III. Biochemistry: Metabolism and Replication and a Word on Evolution

IV. The Machinery of Metabolism

V. The Machinery of Replication

VI. Enclosing Nature's Chemical Factory: Protocells

VII. Life Elsewhere

VIII. Some Thoughts on Missing Links, and Recommendations

References

Discussion

Notes

Author Index

Subject Index

End User License Agreement

List of Tables

Chapter 14

Table I

Chapter 15

Table I

Chapter 18

Table I

Table II

Guide

Cover

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PART ITHE EMERGENCE AND BREAKDOWN OF COMPLEXITY