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Overview

In it's 4th outstanding year, COMBI 2002 meets the demands of industry, government and academia by addressing numerous technology transfer issues which are essential to transition technologies to the marketplace. This meeting will examine the latest developments in:

• Combinatorial and high throughput methods

- High throughput technology: recent advances and case studies
- Achieving 'production mode' status in a high throughput experimentation
- Technology scale-up

• Experimental design for parallel libraries and high throughput screening

- Analytical infrastructure for high throughput characterization of combinatorial materials libraries
- Designing the experiment for combinatorial materials discovery
- Technical considerations and solutions for implementing a high throughput workflow

• Synthesis and discovery of new materials

- Combinatorial nanotechnology of inorganic materials
- Combi methods for organic and polymeric materials
- Combi tools for of heterogeneous and homogeneous catalysts
- Combinatorial approach to electronic and photonic materials

• Multivariant measurements

• Methodology, instrumentation and tools for combi

• High throughput experimentation informatics and data processing

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Featured PANEL DISCUSSION on Making COMBI the same efficient instrument in materials science as it is in drug discovery.

RELATED LINKS
Elsevier Science- Materials Science and Engineering A
High Throughput Experimentation.com
IOP-High Performance Polymers
IOP-Nanotechnology
Materials Technology
Journal of Macromolecular Materials & Engineering

NEW!
CONVENIENTLY TIMED!

The National Institute of Standards and Technology

PRESENTS

THE ESTABLISHMENT OF THE COMBINATORIAL METHODS CENTER
AT THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY.
A KICK-OFF MEETING

Wednesday, January 23, 2002 • Four Points Sheraton Hotel • San Diego, CA
7:30am-2:30pm

Prior to the Knowledge Foundation's COMBI 2002 Symposium, the National Institute of Standards and Technology (NIST) will hold a meeting to present and discuss establishment of a Combinatorial Methods Center at NIST.

Talks will be presented by NIST researchers and invited speakers.

• Morning session will feature presentations on measurement science challenges posed by Combinatorial Materials Research.

• Afternoon session will provide an exciting snapshot of new research opportunities at NIST's Combinatorial Methods Center.

Scientists from different research areas of NIST will be available to discuss focused research topics and potential collaborations with the NIST Combinatorial Methods Center.

See tentative agenda of this meeting below or go to www.nist.gov/combi

This meeting is presented for the convenience of the participants. NIST does not endorse any commercial products.

Agenda

Wednesday, January 23, 2002

7:30 Registration, Coffee and Pastries

8:30 Welcome and Introductions – Eric Amis

8:50 Combinatorial Adhesion – Alfred Crosby

9:10 Multispectral Imaging for Materials Analysis – Steven Buntin

9:30 High-throughput Transport and Diffusion - Chris Muzny

9:50 Multiscale Patterned Biosurfaces – Eric Amis

10:10 Coffee Break

10:30 Combinatorial Tools for Inorganic Materials – Debra Kaiser

10:50 Polymer Formulations – Alamgir Karim

11:10 High-throughput Flame Retardants – Jeffrey Gilman

11:30 Combinatorial Polymer Crystallization - Kathryn Beers

11:50 Other Current Topics – Alamgir Karim

12:10 Lunch

1:15 Center Organization (Projects, Costs, Benefits) – Eric Amis
Participating Membership Level
Focused Projects
CRADA’s

Wednesday, January 23, 2002

2:30 Registration. Poster/Exhibit Set-Up & Refreshments

3:00 Chairperson's Opening Remarks
Peter Chen, Prof Dr, Professor, Laboratorium für Organische Chemie, ETH Zürich; and Thales Technologies AG, Switzerland

3:15 Perspectives on the Technology-to-Business Transition in Sectors Impacted by High Throughput Experimentation
John M. Newsam, PhD, Professor, Managing Director, hte North America

What does a venture capital group like NextGen Enabling Technologies Fund (www.nextgenpartners.com) look for in considering where to place investments in the technology sectors that are impacted by high throughput experimentation? In answering this question, the differing perspectives from founder, technology, business development, customer and investor standpoints are considered. Different ways in which business value might be accumulated from high throughput experimentation, as an enabling technology, are evaluated.

4:00 Technology and Value Creation in Combinatorial Materials Science
Peter E. Cohan, Vice President Discovery Tools, Symyx Technologies, Inc.

What are the economics associated with implementing and running high throughput programs in materials science? What levels of investment are appropriate for specific programs and what returns can be expected? The pharmaceutical industry offers an excellent basis for a model for materials science. We will examine the critical factors for measuring and managing expectations, resources, cultural change and gaining successful outcomes, based on our experiences at Symyx.

4:45 Enterprise Integration Issues and Strategies in Combinatorial Materials Discovery
David Nicolaides, PhD, Consultant, Accelrys Ltd., United Kingdom

Combinatorial Materials Science isn't a single technology, and as the field evolves many different approaches are being taken. Are there simple rules of thumb for making decisions on hardware versus software budgets? What are the simplest or cheapest systems which are currently in use? Do they have a future? What are the visionary, best practice systems which vendors will tell me are their current solutions? How can I place my R&D organization correctly in this fast-changing technology market? How can I manage the risks? Accelrys has been consulting in the area of High Throughput Materials Discovery for over four years, and so has seen the whole spectrum of approaches. In addition, lessons learned from an additional 10 years of consulting to the Pharmaceuticals Industry can be brought to bear. In this talk we will present several case studies, from a "string and sealing wax" to an "Enterprise Materials Development" system; we will put these on the map of R&D strategies, and in doing so provide answers to the questions raised above.

5:30 High Throughput Technology in Chemistry & Catalysis: A Rapidly Emerging New R&D Business Sector
Ian E. Maxwell, PhD, CEO, Avantium Technologies BV, The Netherlands

In recent years a number of new and independent companies have emerged in the field of high throughput technologies offering R&D services to the chemical, pharmaceutical, energy and materials science industries. This represents a new and exciting high technology business sector. The strong shift towards outsourcing of R&D by the chemical and pharmaceutical industries will be discussed including the economic drivers behind this trend. The technology and business challenges involved in the formation and successful development of new high technology companies in this area will be discussed based on experience at Avantium Technologies. Further, this new business sector is characterized by rapid globalization as is reflected in the customer base that already spans across Europe, US and Asia. Finally, some projections and challenges will be discussed as to how this exciting new business sector might develop in the future.

6:15 Post-Workshop Discussion - Questions to All Speakers

6:30 Closing Remarks. End of Workshop

Thursday, January 24, 2002

7:15 Registration, Poster/Exhibit Set-Up, Coffee and Pastries

7:50 Chairperson's Opening Remarks
Eric J. Amis, PhD, Chief, Polymers Division, National Institute of Standards and Technology

8:00 Achieving 'Production Mode' Status in a High Throughput Experimentation (HTE) Program in Heterogeneous Catalysis
John M. Newsam, PhD, Professor, Managing Director, hte North America*

Integration of the four main high throughput experimentation (HTE) stages, labeled 'Design', 'Make', 'Test' and 'Model', is illustrated by one of hte's internal heterogeneous catalyst development programs, that directed to improved DeNOx catalysts for vehicle applications. The technical capabilities of the hard- and software developed to enable this program, and to allow operation in 'production mode' are described. Results for new hte catalyst formulations are presented.
*In collaboration with: W. Strehlau, J. Bechtel, D. Demuth,
K.E. Finger, S. Schunk, and W. Stichert, hte

8:30 Strategies for Combinatorial Catalysis from an Academic Perspective
Eduardo E. Wolf, PhD, Professor, Dept of Chemical Engineering, University of Notre Dame*
To realize the advantages of combinatorial catalysis, once suitable instrumentation for high throughput experimentation is in place, it is necessary to develop a suitable strategy to maximize opportunities for discovery while minimizing the experimental work. We describe a strategy for combinatorial catalysis based on a model of an ideal catalyst for a specific reaction. The reaction under study is the selective oxidation of carbon monoxide in the presence of hydrogen, which is relevant to fuel cells. After the model is formulated, results from high throughput experimentation involving catalysts arrays and parallel activity measurements are presented for supported noble metal catalysts.
*In collaboration with: W. Li, University of Notre Dame, and J.E. Wolf, In-Situ Research Instruments

9:00 High-Throughput Experimentation Informatics - Issues and Solutions
Jan J. Lerou, Dr, Vice President and Chief Technology Officer, NovoDynamics, Inc.

Last year's pre-conference workshop on "Informatics and software tools" demonstrated that the success of any high-throughput experimentation program depends on its capability to handle the vast amount of data. The design of an informatics architecture for high-throughput materials discovery is an essential part of the process and has to fully integrate all workflows required to get to the end result. Issues and solutions will be illustrated with examples from a heterogeneous catalyst discovery project.

9:30 Combinatorial Materials Science Applied - Mini Case Studies, Lessons and Strategies
Peter E. Cohan, Vice President Discovery Tools, Symyx Technologies, Inc.

Symyx has successfully applied combinatorial materials science across a range of field and applications, including polymers, chemicals and electronic materials. We will examine several such workflows and discuss the problems faced and lessons learned. For What infrastructure can be created and levered? What are the common factors for success?

10:00 Refreshment Break, Exhibit/Poster Viewing

10:45 High Throughput Screening of Homogeneous Catalysts by Electrospray Ionization Tandem Mass Spectrometry: Screening First-Then Synthesis
Peter Chen, Prof Dr, Professor, Laboratorium für Organische Chemie, ETH Zürich; and Thales Technologies AG, Switzerland

As screening methodology improves, it is becoming clear that the bottleneck in high-throughput discovery and optimization of homogeneous catalysts lies not in the screen itself, but rather in the generation of libraries. The constraints placed upon the synthesis of sophisticated catalysts by conventional parallel screening technologies restricts the range of structures that can be screened. Application of new mass spectrometric methods to the rapid screening of both pooled and parallel libraries of catalysts is demonstrated in which the constraints on synthesis are largely lifted by implementation of methods that work for mixtures, impure substances, and catalytic formulations. Moreover, a great increase in efficiency is achieved by a reversal of the usual paradigm in which all compounds must be synthesized prior to screening. The method is demonstrated for a variety of catalysts including single-site Ziegler-Natta and ROMP catalysts, and asymmetric hydrogenation systems. Screening can be done in solution with mg quantities of catalysts, in situ activation, and requires only a few minutes.

11:15 Highly Active, Air-Stable Combinatorial Catalysts for the Cross-Coupling of Aryl Chlorides: The First Homogeneous Combinatorial Catalysts for Industrial Applications
George Y. Li, PhD, Chief Technology Officer, CombiPhos Catalysts, Inc.

We successfully developed combinatorial approaches for the discovery of industrial catalysts. Palladium chlorides possessing phosphinous acid ligands were found to be remarkably active and efficient catalysts in the presence of bases for a variety of cross-coupling reactions of aryl chlorides with arylboronic acids, olefins, amines, and thiols. Herein, we report the first examples of these isolated air-stable palladium complexes served as efficient catalyst precursors for C-C, C-N, and C-S bond-forming reactions of aryl chlorides.

11:45 Technical Considerations and Solutions for Implementing a High-Throughput Workflow in Polyolefins
Jonah Troth, System Integration Lead, Discovery Tools Applications and System Integration, Symyx Technologies, Inc.

We will describe a high-throughput workflow to perform research in the area of solution and solid-phase catalyzed polymerization of olefins. Included in the workflow are the following:
(1) rapid serial loading of catalysts onto solid supports,
(2) preparation and injection of catalyst suspensions into 48 individually pressurized reaction chambers,
(3) analysis of the resulting polymers by Rapid GPC(tm) and SAMMS(tm) for Mw, Mw/Mn, Tm, Tg etc., and
(4) the proprietary software tools used to accomplish execution, data basing and analysis of the data.

12:15 Speaker Power Luncheon Sponsored by The Knowledge Foundation
Don't miss an opportunity to meet one-on-one with our conference faculty. Delegates are invited to join participating speakers over luncheon to discuss today's "hot topic" Combi issues.

1:40 Chairperson's Remarks
Peter E. Cohan, Vice President Discovery Tools, Symyx Technologies, Inc.

DATA ANALYSIS AND MANAGEMENT TOOLS

1:45 Data Analysis in Combinatorial Materials Science
David Dorsett, Vice President Informatics and Chief Information Officer, Symyx Technologies, Inc.

A comprehensive informatics system supporting combinatorial and high-throughput catalysis research is presented. Challenges in ad hoc data analysis, querying, and visualization resulting from use of the system in several different research projects will be presented along with future directions.

2:15 Analytical Infrastructure for High Throughput Characterization of Combinatorial Materials Libraries
Radislav A. Potyrailo, PhD, Analytical Chemist, Combinatorial Chemistry Laboratory, Corporate R&D, General Electric Company*

High throughput methods for materials science combine a parallel or combinatorial materials synthesis and processing with an automated characterization and data management tools. From an analytical chemistry perspective this leads to major challenges in developing rapid characterization techniques that can deal with large numbers of small-scale samples. To meet these analytical challenges in the discovery of new materials at General Electric, an analytical infrastructure for high throughput materials characterization was established. Examples from several projects will be provided to illustrate the broad applicability of the developed infrastructure.
* In collaboration with W.G. Morris, B.J. Chisholm, R.J. Wroczynski, and W.P. Flanagan, GE

2:45 Combinatorial Approach to Electronic Thin Film Materials
Ichiro Takeuchi, PhD, Assistant Professor, Dept of Materials Science and Engineering and Center for Superconductivity Research, Dept of Physics, University of Maryland

We have developed a thin film combinatorial methodology to tackle a variety of electronic materials. Our synthesis tools include combinatorial pulsed laser deposition systems for metal oxide systems and an ultra high vacuum magnetron co-sputtering system for metallic alloys. Our rapid characterization tools include a multi-mode microwave microscope for quantitative dielectric and resistance characterization and a scanning SQUID microscope for magnetic characterization.

3:15 Combinatorial Tools for Inorganic Thin Films
Debra L. Kaiser, PhD, Group Leader, Film Characterization and Properties Group, Ceramics Division, National Institute of Standards and Technology*

We have developed a novel dual-target pulsed laser deposition process for the fabrication of combinatorial libraries of inorganic thin films. To date, the system has been used to deposit graded composition BaTiO₃-SrTiO₃ films. A custom spectroscopic reflectometry technique was employed to map film thickness and refractive index at a rate of ~5 s/point. A high throughput X-ray diffraction technique for phase evolution studies in inorganic films is also under development.
*In collaboration with: P.K. Schenck and M.D. Vaudin, NIST

3:45 Refreshment Break, Exhibit/Poster Viewing

4:30 Combinatorial Nano Technology of Oxides by Using Combinatorial PLD/MBE System
Hideomi Koinuma, Professor of Materials Chemistry, Frontier Collaborative Research Center, Tokyo Institute of Technology, Japan

As a powerful tool for systematic exploration of nano-structured materials, their properties, and device applications, we have designed and constructed several types of combinatorial pulsed laser MBE systems. The systems can be operated both in composition spread mode and mask defined integration mode. Some applicability of these systems is demonstrated in the optimization of dielectric, thermoelectric, and magnet-resistive oxides, exploration of new properties in oxide superlattices, and discovery of transparent magnetism in doped TiO₂.

5:00 Combinatorial Techniques in Optimization of Organic Based Photonic Devices
Ghassan E. Jabbour, PhD, Professor, Optical Sciences Center, University of Arizona*

Combinatorial and spread techniques can be powerful tools that can significantly reduce the time spent in the optimization of organic based photonic devices such as organic light-emitting diodes, the building blocks of the novel ultra light, wide viewing angle, low power consumption, and flexible flat panel displays. Since its introduction to the fabrication of organic fluorescent libraries, this technique is gaining acceptance among researchers in the organic light-emitting device area as a tool for rapid materials screening and performance optimization. We will discuss the use of combinatorial techniques in the fabrication of phosphorescent and fluorescent based organic light emitting devices. Optimization of doping profiles, alloy based cathodes, as well as control of recombination zone are few examples that can be investigated with ease and unprecedented throughput using combinatorial techniques.
*In collaboration with Y. Yoshioka, University of Arizona

5:30 Combinatorial Synthesis and Characterization of Transparent Conducting Oxides
John Perkins, PhD, Senior Scientist, National Center for Photovoltaics, National Renewable Energy Laboratory

We have developed the deposition, characterization and analysis tools necessary for a combinatorial approach to thin film metal oxides, with a special focus on transparent conducting oxides (TCOs). Compositionally graded libraries are deposited using multi-gun sputtering or CVD. Characterization tools include UV/VIS/NIR transmission and reflection, FTIR reflectance, Raman scattering, 4-point conductivity, thickness, X-ray diffraction and electron microprobe. Specific materials under study include
Zn-Al-O, Cd-Sn-O and Zn-Sn-O.

6:00 End of Day One

Friday, January 25, 2002

7:15 Exhibit/Poster Viewing, Coffee and Pastries

7:50 Chairperson's Remarks
Eric G. Derouane, PhD, Professor, Director, The Leverhulme Centre for Innovative Catalysis, University of Liverpool, United Kingdom

8:00 Combinatorial Methods for Polymer Science
Eric J. Amis, PhD, Chief, Polymers Division, National Institute of Standards and Technology

Due to successes in pharmaceuticals research, combinatorial methods have received increasing attention for rapidly scanning parameter space to make measurements and develop physical models. Polymeric coatings research involves an inherently large number of material and processing parameters. We have developed novel technologies for depositing polymer coating libraries that employ continuous gradients of thickness, composition, fillers, etc. The techniques have been applied to investigate fundamental problems in polymer science with significant success.

8:30 Combinatorial Catalyst Design - From Parallel High Throughput Experimentation to Knowledge
Jochen A. Lauterbach, PhD, Associate Professor, School of Engineering, Purdue University

Design of catalysts has traditionally followed a hypothesize-and-test methodology with limited systematic guidance. Our goal is to combine computer-aided materials design techniques with high-throughput screening methodologies for automating and systematizing this design process. Rapid-scan Fourier transform infrared hyperspectral imaging is used as the main tool for the parallel investigation of multiple member supported catalyst systems. It combines the chemical specificity of infrared spectroscopy with the ability to rapidly analyze multiple samples simultaneously. Using CO and propylene oxidation as model systems, it was established that FTIR imaging is well suited to high throughput parallel analysis of reaction products from supported catalyst libraries.

9:00 A Systematic Approach to Planning for a Designed Combinatorial Experiment
James N. Cawse, PhD, Senior Staff Scientist, Corporate R&D Center, General Electric Company

Regardless of the excitement of using new and powerful combinatorial technology for conducting an experiment, the "planning activities that precede the actual experiment are critical to successful solution of the experimenters' problem". If anything, planning must be more careful since we now have the opportunity of going in the wrong direction faster than ever. Following Montgomery and Coleman's classic paper on "Planning for a Designed Industrial Experiment" we will present a Guide for defining both individual experiments and an entire program.

9:30 High Throughput Technology: Recent Advances and Case Studies
Ian E. Maxwell, PhD, CEO, Avantium Technologies BV, The Netherlands

High throughput technologies are now developed and being successfully applied such that they are becoming recognized as essential R&D tools by the chemicals, pharmaceutical, energy and materials science industries. This approach enables new processes and products to be brought to market at lower cost and dramatically shorter development times. High throughput technology deploys robotic synthesis, parallel miniaturized reactors, high-speed analytical techniques combined with powerful informatics, data management and simulation. The technology also increases the chances of technical success and innovation through greater parameter diversity in the screening phase and thus improves the robustness of the final process design. Some concrete examples will be given where high throughput technologies have indeed resulted in the rapid discovery of new and highly innovative catalyst systems for both pharmaceutical and chemical applications. Further, the scalability of the technology platform enables these catalysts to be rapidly commercialised. Some future opportunities and challenges in this exciting new field will also be discussed.

10:00 Refreshment Break, Exhibit/Poster Viewing

10:45 New Polymers and Dyes the Combinatorial Way
Mark Bradley, PhD, Professor, Department of Chemistry, University of Southampton, United Kingdom

Combinatorial chemistry has captured the imagination of the pharmaceutical industry and has led to widespread changes in the application and exploitation of synthetic chemistry. However such methods have immense power and application in a range of additional areas. This includes the area of polymer chemistry as well as the synthesis of dyes. In our presentation we will discuss the use of combinatorial methodologies for the synthesis, screening and analysis of a range of different polymers, ranging from beads produced by suspension polymerization methods to molecular imprinted polymers and combinatorial radiation grafting.

11:15 Combinatorial Methodology Using Gradient Polymer Coatings: From Data to Information to Knowledge
Alamgir Karim, PhD, Group Leader, Multivariant Measurement Methods, Polymers Division, National Institute of Standards and Technology*

Continuous gradients are well suited for investigating equilibrium and non-equilibrium properties of polymer films and coatings in combinatorial and high-throughput manner. This talk discusses our recent advances and success in using a continuous gradient approach for preparing libraries of polymer films for investigating a variety of problems and extracting useful information from vast amounts of data to ultimately knowledge discovery. Problems studied include the wettability of polymers films on uniform and gradient surface energy substrates, mapping phase boundary of polymer thin films and extension to application areas of photo-resist for microelectronics, polymer blend nanocomposites and polyolefin blends, surface ordering properties of block-copolymer films, polymer crystallization morphology evolution and kinetics, and combinatorial adhesion studies at the polymer-polymer interface. Results are validated by comparison with published literature data and individual validation tests. In the current state-of-the art methodology for investigating properties of continuous gradient polymer coatings, library preparation and data informatics present the major challenge to the combinatorial approach.
*In collaboration with: E.J. Amis, NIST; C. Meredith, Georgia Institute of Technology

11:45 Development of High Throughput Methods for Materials Flammability Research
Jeffrey W. Gilman, PhD, Group Leader, Materials and Products Group, Fire Research Division, Building and Fire Research Laboratory, National Institute of Standards and Technology*

Current methods used to study the flammability properties of materials focus on classic one-at-a-time approaches. The list of parameters for characterizing flammability is large. As a result, literally millions of experiments and measurements may be required to provide an understanding of the issues controlling flame retardant materials. Therefore, it is necessary to develop HT methods for studying flammability. We have prepared gradient polymer samples with continuously varying concentrations of additives using an extruder. Gradients in additive concentrations in the extruded samples are characterized off-line using automated-thermogravimetric analysis (TGA) along with high throughput X-ray absorption (XRA).
*In collabortation with: M. Nyden and R. Davis, NIST

12:15 Lunch on Your Own

1:40 Chairperson's Remarks
Ian E. Maxwell, PhD, CEO, Avantium Technologies BV, The Netherlands

1:45 Combinatorial Discovery of Heterogeneous Catalysts and Photocatalysts
Wilhelm F. Maier, Prof Dr, Professor, Chair, Technische Chemie, Universitt des Saarlandes Im Stadtwald, Germany

The need for new materials and catalysts has never been satisfied by conventional methods. Chemical diversity is much too large to be explored systematically. Combinatorial chemistry is a promising technology for the discovery of new materials and catalysts. Our experience in the preparation and characterization of libraries and combinatorial methods for catalyst discovery is discussed. The discovery of new catalysts for combustion and new photocatalysts for water purification with visible light is presented.

2:15 Application of Combinatorial Tools to the Discovery and Commercialization of Heterogeneous Catalysts
Jennifer Holmgren, PhD, Center Leader, Exploratory and Fundamentals Center, UOP LLC*

We have developed an integrated combinatorial heterogeneous catalyst system which includes all the relevant catalyst preparation unit operations including hydrothermal synthesis, metal oxide precipitation, ion exchange, metals addition, oxidation, steaming, reduction and, of course, catalyst testing. Using commercially relevant materials, we have demonstrated the experimental reproducibility of this combinatorial discovery system and scalability of materials from the combinatorial scale to the laboratory scale. Our results demonstrate that this system can be used to accelerate discovery and scale-up of heterogeneous catalysts.
*In collaboration with: D. Bem, R. Gillespie, M. Bricker, G. Lewis, A. Sachtler, and R. Willis, UOP LLC; D. Akporiaye, A. Karlsson, M. Plassen, and R. Wendelbo, SINTEF

2:45 Applications of Combinatorial Catalysis to Emissions Control and Hydrocarbon Processing
Selim Senkan, PhD, Professor and Chairman, Chemical Engineering Department, UCLA*

Combinatorial heterogeneous catalysis is a methodology or a set of tools where large diversities of solid state materials are prepared, processed and tested for catalytic activity and selectivity in a rapid fashion. Combinatorial catalysis also embodies microfabrication, robotics, automation, computational chemistry, and large-scale information management (informatics), and as such carry the promise of a renaissance in catalytic reaction engineering. Having developed some of the tools of combinatorial catalysis, we recently started applying this methodology for the discovery of new catalytic materials in two areas:
(1) The elimination of NOx from lean burn gasoline and diesel engine exhausts using hydrocarbon selective catalytic reduction (HC-SCR);
(2) The direct conversion of propylene-to-propylene oxide (PO). In each case, nearly one thousand catalytic materials were screened and several high-performing leads were discovered and tested for extended periods of time. These studies demonstrate that combinatorial chemistry methodologies can successfully be implemented for the discovery and optimization of new catalytic materials in a time period measured in weeks and months.
*In collaboration with: S. Ozturk, K. Krantz, T. Miyazaki, UCLA, and C. Leidholm, Lab Catalyst Systems, LLC

3:15 Refreshment Break, Exhibit/Poster Viewing

3:45 Production of Combinatorially Discovered Materials at Commercially Viable Volumes
Mark Hampden-Smith, PhD, Director & Vice President, Superior MicroPowders

- Reproducing the attributes of complex, combinatorially discovered materials at high volumes can be an issue
- A highly flexible powder manufacturing process is required to produce combinatorially discovered powders
- A spray-based route to produce materials with variations in composite structure, morphology and composition that has been scaled to high volumes will be described
- Materials from pharmaceuticals to ceramics can be manufactured

4:15 Experiment Planning for Combinatorial Materials Discovery
Laurel A. Harmon, PhD, President, Striatus Incorporated

Advancements in high throughput and combinatorial methods for materials discovery have stimulated the development of new approaches to experiment planning and experiment design. Several approaches will be discussed, highlighting their strengths and weaknesses in different applications. The selection of experiment planning strategy imposes requirements on supporting informatics systems, from data capture and storage through data analysis and visualization. The implications for combinatorial materials informatics system design will be reviewed.

4:45 PANEL DISCUSSION:

Facilitator

Eric G. Derouane, University of Liverpool

Panelists

Eric J. Amis, NIST
James N. Cawse, General Electric
Peter Chen, ETH Zürich
Peter E. Cohan, Symyx Technologies
Ian E. Maxwell, Avantium Technologies BV

5:30 Closing Remarks. End of Conference

Call for Posters