Advances in Chemical Physics, Proceedings of the 240 Conference: Science's Great Challenges (Volume 157)

364 Pages·2014·4.509 MB·English

by  Stuart A. Rice, Aaron R. Dinner

PROCEEDINGS OF THE 240
CONFERENCE: SCIENCE’S
GREAT CHALLENGES
ADVANCESIN CHEMICALPHYSICS
VOLUME157
EDITORIAL BOARD
KurtBinder, CondensedMatterTheoryGroup,InstitutFu¨rPhysik,JohannesGutenberg-
Universita¨t,Mainz,Germany
WilliamT.Coffey, DepartmentofElectronicandElectricalEngineering,PrintingHouse,
TrinityCollege,Dublin,Ireland
KarlF.Freed, DepartmentofChemistry,JamesFranckInstitute,UniversityofChicago,
Chicago,Illinois,USA
Daan Frenkel, Department of Chemistry, Trinity College, University of Cambridge,
Cambridge,UK
Pierre Gaspard, Center for Nonlinear Phenomena and Complex Systems, Universite´
LibredeBruxelles,Brussels,Belgium
MartinGruebele, Departments of Physics and Chemistry, Center for Biophysics and
ComputationalBiology,UniversityofIllinoisatUrbana–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
HaberCenterforMolecularDynamics,TheHebrewUniversityofJerusalem,Israel
KaYeeLee, Department of Chemistry, James Franck Institute, University of Chicago,
Chicago,Illinois,USA
ToddJ.Martinez, DepartmentofChemistry,PhotonScience,StanfordUniversity,Stan-
ford,California,USA
ShaulMukamel, DepartmentofChemistry,SchoolofPhysicalSciences,Universityof
California,Irvine,California,USA
JoseN.Onuchic, DepartmentofPhysics,CenterforTheoreticalBiologicalPhysics,Rice
University,Houston,Texas,USA
StephenQuake, DepartmentofBioengineering,StanfordUniversity,PaloAlto,Califor-
nia,USA
Mark Ratner, Department of Chemistry, Northwestern University, Evanston, Illinois,
USA
DavidReichman, DepartmentofChemistry,ColumbiaUniversity,NewYorkCity,New
York,USA
GeorgeSchatz, DepartmentofChemistry,NorthwesternUniversity,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
DonaldG.Truhlar, DepartmentofChemistry,UniversityofMinnesota,Minneapolis,
Minnesota,USA
JohnC.Tully, DepartmentofChemistry,YaleUniversity,NewHaven,Connecticut,USA
PROCEEDINGS OF THE 240
CONFERENCE: SCIENCE’S
GREAT CHALLENGES
ADVANCESIN CHEMICALPHYSICS
VOLUME157
EditedBy
AARONR.DINNER
SeriesEditors
STUARTA.RICE
DepartmentofChemistry
and
TheJamesFranckInstitute,
TheUniversityofChicago,
Chicago,Illinois
AARONR.DINNER
DepartmentofChemistry
and
TheJamesFranckInstitute,
TheUniversityofChicago,
Chicago,Illinois
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LibraryofCongressCataloging-in-PublicationData:
240Conference(2012:UniversityofChicago)
Proceedingsofthe240Conference:science’sgreatchallenges/editedbyAaronR.Dinner.
pagescm.–(Advancesinchemicalphysics;330)
Includesbibliographicalreferencesandindex.
ISBN978-1-118-95959-6(hardback)
1.Chemistry,Physicalandtheoretical–Congresses. 2.Research–Congresses. I.Dinner,
AaronR.(AaronReuven),editor. II.Berry,R.Stephen,1931-honouree. III.Rice,StuartAlan,
1932-honouree. IV.Jortner,Joshua,honouree. V.Title.
QD455.5.A14 2012
541′.2–dc23
2014032927
PrintedintheUnitedStatesofAmerica
10 9 8 7 6 5 4 3 2 1
CONTRIBUTORS TO VOLUME 157
BjarneAndresen, NielsBohrInstitute,UniversityofCopenhagen,Copenhagen,Den-
mark
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,
NewMexico,USA
D.Constales, DepartmentofMathematicalAnalysis,GhentUniversity,Ghent,Belgium
AaronR.Dinner, DepartmentofChemistryandtheJamesFranckInstitute,TheUniver-
sityofChicago,Chicago,Illinois,USA
DavidFeder, DepartmentofPhysicsandAstronomy,TheUniversityofCalgary,Alberta,
Canada
XiaoxuGuan, Department of Physics and Astronomy, Drake University, Des Moines,
Iowa,USA
AndreasHeidenreich, KimikaFakultatea,EuskalHerrikoUnibertsitatea(UPV/EHU),
and Donostia International Physics Center (DIPC), Donostia-San Sebastian, Spain;
IKERBASQUE,BasqueFoundationforScience,Bilbao,Spain
KarlHeinzHoffmann, InstituteofPhysics,ChemnitzUniversityofTechnology,Chem-
nitz,Germany
JuliusJellinek, ChemicalSciencesandEngineeringDivision,ArgonneNationalLabo-
ratory,Argonne,Illinois,USA
RonnieKosloff, InstituteofChemistryandtheFritzHaberResearchCenterforMolec-
ularDynamics,TheHebrewUniversityofJerusalem,Jerusalem,Israel
SydneyLeach, Laboratoired’EtudeduRayonnementetdelaMatie´reenAstrophysique
(LERMA),ObservatoiredeParis-Meudon,France
DavidM.Leitner, DepartmentofChemistryandChemicalPhysicsProgram,University
ofNevada,Reno,Nevada,USA
G.B.Marin, LaboratoryforChemicalTechnology,GhentUniversity,Ghent,Belgium
C.Nicolis, InstitutRoyalM’et’eorologiquedeBelgique,Brussels,Belgium
GregoireNicolis, InterdisciplinaryCenterforNonlinearPhenomenaandComplexSys-
tems,Universite`LibredeBruxelles,Brussels,Belgium
AbrahamNitzan, SchoolofChemistry,TelAvivUniversity,TelAviv,Israel
v
vi CONTRIBUTORSTOVOLUME157
JamesD.Nulton, DepartmentofMathematicsandStatistics,SanDiegoStateUniversity,
SanDiego,California,USA
KenjiOhmori, DepartmentofPhoto-MolecularScience,InstituteforMolecularScience
(IMS),NationalInstitutesofNaturalSciences,Myodaiji,Okazaki,Japan
MartinQuack, Laboratoriumfu¨rPhysikalischeChemie,ETHZu¨rich,Zu¨rich,Switzer-
land
Forest L. Rohwer, Department of Biology, San Diego State University, San Diego,
California,USA
PeterSalamon, DepartmentofMathematicsandStatistics,SanDiegoStateUniversity,
SanDiego,California,USA
Barry I. Schneider, Office of Cyberinfrastructure, The National Science Foundation,
Arlington,Virginia,USA
J.ChristianScho¨n, MaxPlanckInstituteforSolidStateResearch,Stuttgart,Germany
AncaM.Segall, DepartmentofBiology,SanDiegoStateUniversity,SanDiego,Cali-
fornia,USA
JohnC.Tully, DepartmentsofChemistry,PhysicsandAppliedPhysics,YaleUniversity,
NewHaven,Connecticut,USA
John D. Weeks, Department of Chemistry and Biochemistry, University of Maryland,
CollegePark,Maryland,USA
JohnWeiner, InstitutodeF´ısicadeSa˜oCarlos,UniversidadedeSa˜oPaulo,Sa˜oCarlos,
Sa˜oPaulo,Brazil
G.S.Yablonsky, Parks College of Engineering, Aviation and Technology, Saint Louis
University,SaintLouis,Missouri,USA
LindaYoung, ArgonneNationalLaboratory,Argonne,Illinois,USA
PREFACE
Thisvolumeseekstocapturethespiritofthe“240”Conference,agatheringheld
September13–15,2012,atTheUniversityofChicagotocelebratethecombined
eightiethbirthdaysofR.StephenBerry,StuartA.Rice,andJoshuaJortner.This
meeting was explicitly designed to be forward-looking, focusing on important
openproblemsinchemicalphysicsandrelatedareasofscienceinordertoidentify
gapsinfundamentalknowledge.Thisgoalisafittingonegiventhattheprofound
influencethehonoreeshavehadonchemicalphysicscomesinnosmallpartfrom
theirabilitytoaskquestionsthatothershavefailedtoappreciatewereunanswered.
Indeed, their pursuit of “what could (and should) be” over “what is” goes well
beyondtheirscientificresearchandcharacterizesallaspectsofSteve’s,Stuart’s,
andJoshua’scareers,includingtheirmajorrolesinadministrationandpolicy.
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
sessionsatthemeeting:theEmergenceandBreakdownofComplexity,Dynamics
atExtremes,andGrandQuestions(OriginsofLifeandtheChemicalUniverse).
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
fromtheirparticipantstoSteve,Stuart,andJoshua;readerscanfurthercontribute
tothattributebygoingforthwithopenmindsanddiscoveringtheproblemsand
ultimatelysolutionsoftwenty-first-centurychemicalphysics,broadlydefined.
AaronR.Dinner
TheUniversityofChicago,July2013
vii
SESSIONS AT THE “240” CONFERENCE
(SEPTEMBER 13–15, 2012)
I. Theemergenceandbreakdownofcomplexity
IA. Featuresofcomplexity
IB. Transitionfromatomstoclustersandtocondensedmatter.
IC. Propertiesofreactionnetworks
ID. Theemergenceofsimplicityfromcomplexity
II. Dynamicsatextremes
IIA. Ultrafastnucleardynamics
IIB. Chemistryinultraintenselaserfields
IIC. Coulombexplosionandhigh-energychemistry
IID. Structure,function,anddynamicsrelationsfornanostructures
IIE. Thermalandelectrictransportinnanostructures
IIF. Chemicaldynamicsintheultracoldworld
IIG. Elementaryexcitationsinultracold,finitesystems
III. GrandQuestions
IIIA. Originsoflife
IIIB. Thechemicaluniverse
viii