# Dynamic Energy Landscape and Functional Systems

# 

# Monday: March 29

**8:30am** **Opening Remarks**

> **Steven Conradson**, Structure Property Relations, Los Alamos
> National Laboratory

**Session 1: Functional Physical, Chemical, and Biological Systems
Described**

**Chair: Alan Bishop, Co-Chair: Amit Misra**

**8:45am** **Introduction**

> **Alan Bishop**, Director, Theoretical Division, Los Alamos National
> Laboratory

**9:15am** **Stuart Parkin**, IBM Almaden Research Center, California

> *Tunneling Spin Polarization -- Structure Relationship*

**9:45am** **Jienpeng Ma**, Dept of Biochemistry and Molecular Biology,
Baylor College of Medicine

> *New Methods for Simulating Supermolecular Complexes at Multiple
> Resolutions Scales and Multiple Length Scales*

**10:15am** Break

**10:45am** **R. Viswanath**, Institute for Nanotechnology,
Forschungszentrum, Karlsruhe, Germany

> *Tuning the Properties of Nanoporous Metals by Charge*

**11:15am** **Jay Groves**, Dept of Chemistry, University of California,
Berkeley

> *Molecular Pattern Formation and Signal Transduction at Intercellular
> Synapses*

# 

**11:45am Wolfgang Parak**, Center for Nanoscience, University of
Munich, Germany

> *Biological Applications of Quantum Dots*

**12:15pm** Lunch on own

**1:30pm Michel Peyrard**, Laboratoire de Physique, Ecole Normale
Superieure, Lyon

> *Nonlinearity-Controlled Energy Landscape to Manage the Heat Flow*

**2:00pm** **Antonio Bianconi**, Dept of Physics, University "La
Sapienza", Rome, Italy

*Mesoscopic Heterogeneity, Lattice Dynamics and Macroscopic Quantum*

> *Coherence at High Temperature*

**2:30pm** **Thomas Proffen**, Lujan Neutron Scattering Center, Los
Alamos National Laboratory

> *Local Structure: the key to understanding complex materials*

**3:00pm** **Discussion**

> **Amit Misra**, Structure Property Relations, Los Alamos National
> Laboratory

**3:30pm** Break

**Session 2: The Current State-of-the-Art of Elastic and Other Local
Forces and Entropy**

**Chair: Dragan Mihailovic, Co-Chair: Avadh Saxena**

**4:00pm** **Introduction**

> **Dragan Mihailovic**, Dept of Complex Matter, Institut Jozef Stefan,
> Slovenia

**4:30pm** **Michael Thorpe**, Dept of Physics & Astronomy, Arizona
State University

> *Flexibility and Function in Proteins*

**5:00pm** **Angel Garcia/Rafael Howell**, University of the Basque
Country, Spain/Structural Property Relations, Los Alamos National
Laboratory

> *A Many Body Approach to Inhomogeneities in Crystals*

# Dynamic Energy Landscape and Functional Systems

## Tuesday: March 30

**8:30am** **Albert Migliori**, National High Magnetic Field Lab Center,
Los Alamos National Laboratory

> *Elastic collapse in plutonium "invar"*

**9:00am** **Dorothee Kern**, Dept of Biochemistry, Brandeis University

#######  On the Move in the NMR Tube and in the Crystal: Protein Dynamics during Catalysis

**9:30am** **Rene Corrales**, Pacific Northwest National Laboratory

*Sensitivity of Ion Pair Free Energy Profiles in Amorphous Silicates*

**10:00am** Break

**10:30am** **Hiroshi Kamimura**, Dept of Theoretical Physics, Tokyo
University of Science, Japan

*The Role of Proton Hopping in the Insulator-Superionic Conductor
Transition*

*in the Hydrogen-Bonded System*

**11:00am** **Turab Lookman**, Theoretical Division, Los Alamos National
Laboratory

*Multiscale Textures in Elastic Materials*

**11:30am** **Discussion**

**Avadh Saxena,** Condensed Matter & Statistical Physics, Los Alamos
National Laboratory

**12:00pm** Lunch on own

**Session 3: Intrinsic Phase Separation, Heterogeneity, and Interfaces
in Hard Solids and Soft Molecules**

**Chair: Matt Tirrell, Co-Chair: Angel Garcia-Adeva**

**1:30pm** **Introduction**

**Matt Tirrell**, Dept of Engineering, University of California, Santa
Barbara

**2:00pm Adriana Moreo**, Florida State University

> *Complexity in Transition Metal Oxides*

**2:30pm Gerhard Hummer**, Laboratory of Chemical Physics, National
Institutes of Health

*Water and Protons in Narrow Molecular Pores: From Nanotubes to
Proteins*

**3:00pm** Break

**3:30pm** **Anna Balazs**, Chemical Engineering Dept, University of
Pittsburgh

> *Using Multi-Scale Modeling to Design Self-Healing Nanocomposite
> Films*

**4:00pm** **Hsing-Lin Wang,** Bioscience Division Michelson Resource,
Los Alamos National Laboratory

**4:30pm Kazuhiro Otsuka**, National Institute for Materials Science,
Tsukuba, Japan

> *Aging and Time-dependent Phenomena Associated with Martensitic*
>
> *Transformation in Au-Cd Alloys*

**5:00pm Special Talk**

> **Hans Frauenfelder**, Theoretical Biology & Biophysics, Los Alamos
> National Laboratory

**7:00pm-9:30pm Poster Session and Reception**

# Dynamic Energy Landscape and Functional Systems

### Wednesday: March 31

**8:30am** **William Klein**, Boston University

##### Landscapes and Phase Separation in Near Mean-Field Systems

**9:00am** **Atul Parikh**, Dept of Applied Science, University of
California, Davis

> *Functional Consequences of Phase Separation and Material*
>
> *Heterogeneity in Biological Membranes*

**9:30am Antonio Redondo**, Theoretical Chemistry & Molecular Physics,

> Los Alamos National Laboratory

######## Coarse-Grained Models for Nano and Mesoscale Soft Matter Systems

**10:00am** **Discussion**

**Angel Garcia-Adeva**, University of the Basque Country, Spain

**10:30am** Break

**Session 4: Coupling Between the Elastic, Bonding, Charge, Spin,
Composition,**

**and Other Degrees of Freedom**

**Chair: Davor Pavuna, Co-Chair: F. Javier Espinosa-Faller**

**11:00am** **Introduction**

**Davor Pavuna**, Institute of Physics of Complex Matter, Switzerland

**11:30am** **Simon Ringer**, The University of Sydney, Australia

*Solute Clustering and Its Effects on Nucleation, Evolution of
Nanostructure*

> *and Materials Properties*

**12:00pm** **Annette Bussman-Holder**, Max Planck Institute for Solid
State Research, Germany

> *Heterogeneity in Complex Charge Transfer Materials*

**12:30pm** Lunch on own

**2:00pm** **John Sarrao**, Condensed Matter & Thermal Physics, Los
Alamos National Laboratory

*Tuning Unconventional Superconductors*

**2:30pm** **Sunhil Sinha,** Dept of Physics, University of California,
San Diego

# 3:00pm Hiroyuki Oyanagi, National Institute of Advanced Industrial Science and Technology, Japan

> *Photo-induced Spin Transition in Molecular Network Probed by X-ray
> Absorption Spectroscopy*

**3:30pm** Break

**4:00pm Special Talk**

> **James A. Krumhansl**, Dartmouth College

# Dynamic Energy Landscape and Functional Systems

### Thursday: April 01

**8:30am** **Steve Valone**, Materials Science and Technology, Los
Alamos National Laboratory

> *Multiscale Charge Transfer Potentials for Biophysical and Materials
> Systems*

**9:00am** **Haimei Zheng**, University of Maryland

> *Multiferroic BaTiO3-CoFe2O4 Nanostructures*

**9:30am** **Lawrence Pratt**, Theoretical Chemistry & Molecular
Physics, Los Alamos National Laboratory

*Participation of Water in Biomolecular Structure and Function*

**10:00am** Break

**10:30am** **Takeshi Egami**, University of Tennessee

> *Spin-Charge-Lattice Coupling in High-T~C~ Cuprates*

**11:00am** **Discussion**

**F. Javier Espinosa-Faller**, Marista University, Merida, Mexico

**11:30am** Lunch On Own

**Session 5:** **The Dynamic Energy Landscape; Where, Why, and How**

**Chair: Ben McMahon, Co-Chair:**

**1:00pm** **Introduction**

> **Ben McMahon**, Theoretical Biology & Biophysics, Los Alamos National
> Laboratory

**1:30pm** **Takayoshi Nakamura**, Research Institute for Electronic
Science, Hokkaido University, Japan

> *Supramolecular Systems of Molecular Conductors and Magnets Toward
> Nanodevices*

**2:00pm Ken Ahn**, Theoretical Division, Los Alamos National Laboratory

> *Self-Organized Nano and Micrometer Scale Heterogeneities in
> Perovskite Manganites*

**2:30pm Daniel Barsky**, Lawrence Livermore National Laboratory

*Differences in the Dynamics and Stability of Human Protein Variants*

**3:00pm** Break

**3:30pm** **Theo Maesen**, Chevron Texaco, California

##### Molecular Shape Selectivity and the Gibbs Free Energy Landscape

**4:00pm Daniel Lacks**, Dept of Chemical Engineering, Case Western
Reserve University

> *Distorting Energy Landscapes with stress*

**4:30pm David Clark**, Director, Seaborg Institute, Los Alamos National
Laboratory

> *Metal-Oxygen Bonding Across the Actinide Series: Tuning Local
> Chemistry in AnO~2+x~ and Related Compounds*

**5:00pm** **Discussion**

**7:00pm-10:00pm Banquet**

# Dynamic Energy Landscape and Functional Systems

### Friday: April 02

**8:30am** **Phillip Anfinrud**, Laboratory of Chemical Physics,
National Institutes of Health

> *Watching Proteins Function with 150-picosecond Time-Resolved X-ray
> Crystallography*

#### 

#### Session 6: Mesoscale Engines: Technology and Applications

######### Chair: Jose Mustre de Leon

**9:00am** **Jose Mustre de Leon**, CINVESTAV, Mexico

**9:30am** **Masaru Ichikawa**, Catalysis Research Center, Hokkaido
University, Japan

> *Nanoscale Fabrication of Metal/alloy Particles and Wires Using
> Mesoporous Materials: Size/Shape Dependent Electronic and Catalytic
> Performances*

**10:00am** **TBA**

**10:30am** **Andrea Slade**, University of Toronto, Canada

**11:00am** Lunch Break: Santa Fe Buffet

**11:30am** **Ahmet Yildiz**, University of Illinois at Urbana-Champaign

Direct Observation of Hand-over-Hand Motility of Processive Motors by
Nanometer Localization of Single Fluorophores

**12:00pm** **Maria Mitkova**, Electrical Engineering, Arizona State
University

Formation of Nanophase-Separated Structures in Ag Doped Fourfold
Coordinated Chalcogenide Glasses -- Structural Aspects and Applications
in Device Technologies

**12:30pm** **Andrew Dattlebaum**, Bioscience Division Michelson
Resource, Los Alamos National Laboratory

#######  Patterning and Functionalization of Ordered Nanocomposite Silica Thin Films

# 1:00pm Final Discussion and Closing

**Andrew Shreve**, Bioscience Division Michelson Resource, Los Alamos
National Laboratory

**Symposium: Inhomogeneities and Heterogeneities in Cuprates and Related
Materials**

###### Friday, April 2

**2:00pm Takeshi Egami** **(Chair),** University of Tennessee

> *Introduction: Electronic Inhomogeneity and Pseudo-Gap in High-T~C~
> Cuprates*

**2:30pm Alan Bishop**, Director, Theoretical Division, Los Alamos
National Laboratory

**3:00pm J.C. Seamus Davis**, Dept of Physics, Cornell University

> *Discovery of a 'Checkerboard' Electronic Crystal Phase in the Lightly
> Doped Mott*
>
> *Insulator Ca~2-X~Na~x~CuO~2~Cl~2~*

**3:30pm Alexander Balatsky**, Condensed Matter & Statistical Physics,
Los Alamos

> National Laboratory
>
> *Inelastic STM Spectroscopy and Neutron and Phonon Collective Mode
> Identification*
>
> *in High-T~C~ Superconductors*

**4:00pm** Coffee Break

**4:20pm Dragan Mihailovic**, Josef Stefan Institute, Slovenia

*Evidence for a Universal Length Scale in Cuprates*

**4:50pm Hiroshi Kamimura**, Dept of Theoretical Physics, Tokyo
University of Science, Japan

> *The d-wave pairing mechanism due to the interplay of electron-phonon
> interaction*
>
> and the antiferromagnetic ordering

**5:20pm** **Jose Mustre de Leon**, CINVESTAV, Mexico

**5:50pm John Dow**, Arizona State University

*The Locus of Superconductivity in the Cuprates and the Ruthenates*

**6:20pm Reception: Hot and Cold Hors d'Oeuvres**

**7:30pm Juergen Haase**, Liebniz Institute Dresden, Germany

*NMR and Inhomogeneities in Cuprates*

**8:00pm Nicholas Curro**, Condensed Matter & Thermal Physics, Los
Alamos National Laboratory

> *Inhomogeneous Charge and Spin Fluctuations in the Lanthanum Cuprate
> System*

**8:30pm Discussion**

**Symposium: Inhomogeneities and Heterogeneities in Cuprates and Related
Materials**

### 

### Saturday, April 3

**8:00am Breakfast**

**8:30am Z.-X. Shen**, Geballe Laboratory for Advanced Materials,
Stanford University, California

*Extracting the Bosonic Function in Cuprates using ARPES*

**9:00am Davor Pavuna,** Institute of Physics of Complex Matter,
Switzerland

> *Electronic Properties and Tc Enhancement in Thin Superconducting
> Cuprates:*
>
> *The Role of Doping, Strain and Dynamic Energy Landscapes*

**9:30am Alessandra Lanzara**, Dept of Physics, University of
California, Berkeley

> *Isotope Induced Changes in the Electron Dynamics of High Temperature
> Superconductors*

**10:00am Atsushi Fujimori**, Graduate School of Frontier Sciences,
University of Tokyo, Japan

> *Structural Effects on the Electronic Structure of High-T~C~ Cuprates*

**10:30am** Coffee Break

**11:00am Anna Llobet**, Lujan Neutron Scattering Center, Los Alamos
National Laboratory

> *Coexistence of Superconductivity and Magnetism in Heavy Fermion
> Family of Compounds*

**11:30am Matthias Graf**, Condensed Matter & Statistical Physics, Los
Alamos National Laboratory

> *Glass and Stripe Phases in the Coexistence Region of
> Superconductivity and Antiferromagnetism*

**12:00pm Ivar Martin,** Condensed Matter and Statistical Physics, Los
Alamos National Laboratory

*Stripes in Superconducting Cuprates -- Possible Phases and their
Diagnostics*

**12:30pm** **Discussion**

**1:00pm Closing**

## ICAM Workshop on Lifelike Matter

# Friday, April 2

**11:00am** **Lunch: Santa Fe Buffet**

**2:00pm** **Introduction**

**Alan Hurd**, Interim Associate Director, Center for Integrated
Nanotechnologies, Los Alamos

**2:05pm Angel Garcia**, Theoretical Biology & Biophysics, Los Alamos
National Laboratory

"Energy Landscapes in Protein Folding"

**2:50pm** **Galen Stucky**, University of California, Santa Barbara

**3:35pm Discussant**

**Alan Hurd**, Interim Associate Director, Center for Integrated
Nanotechnologies, Los Alamos

**4:20pm** Break

**4:50pm** **Daniel Cox**, University of California, Davis

**5:35pm Sarah Tolbert**, Dept of Chemistry & Biochemistry, University
of California, Los Angeles

> Using Nanoscale Architecture to control Functionality in
> Mesostructured Materials Produced Through Inorganic/Organic
> Co-organization

**6:20pm** **Discussant**

**Snezna Rogelj**, Dept of Biology, New Mexico Institute of Mining and
Technology, New Mexico

**7:00pm Reception: Hot and Cold Hors d'Oeuvres**

**7:45pm Atul Parikh**, University of California, Davis

*Functional Consequences of Phase Separation and Material Heterogeniety*

> *in Biological Membranes*

**8:30pm** **Ken Shea**, University of California, Irvine

*The Synthesis of Complex Functional Materials*

**9:15pm** **Discussant**

> **Frank van Swol,** Computational Materials, Sandia National
> Laboratories
>
> *Superhydrophobic Effect in Materials*

## ICAM Workshop on Lifelike Matter

# Saturday, April 3

**8:30am** Breakfast

**9:00am Frank van Swol,** Computational Materials, Sandia National
Laboratories

*Superhydrophobic Effect in Materials*

**9:45am** **Roger Qiu**, BioSecurity & Nanosciences Laboratory

> Lawrence Livermore National Laboratory

*Stereochemical Recognition During Biomineralization: A Paradigm
Revisited*

**10:30am** Break

**11:00am** **Andy Shreve**, Bioscience Division Michelson Resource, Los
Alamos National Laboratory

**11:45am** **Paul Calvert**, Dept of Textile Sciences, University of
Massachusetts, Dartmouth

*Inkjet Printing as a Mimic for Biological Growth*

**12:30pm** **Discussant**

**Hans Frauenfelder**, Theoretical Biology & Biophysics, Los Alamos
National

**1:15pm Closing Remarks**