Steven G.Boxer

Kyeongjae Cho

Reinhold Dauskardt

Curtis W. Frank

Gerry G. Fuller

Marni Goldman

Wolfgang Knoll

Michael McGehee

Vijay S. Pande

John Pople

Eric S.G. Shaqfeh

Robert Waymouth



Steven G. Boxer (top)

Camille and Henry Dreyfus Professor of Chemistry, Biophysical and Physical Chemistry, Stanford University, Stanford, CA (b. 1947). B.S. with honors 1969, Tufts University; Ph.D. 1976, University of Chicago. Phone: (650)723-4482, Fax: (650)723-4817, email:

Boxer works on structure and function in several biological systems with applications in biotechnology. Research topics include the mechanism of the initial events in photosynthesis, electrostatics and dynamics in heme proteins, physical chemistry of supported lipid bilayers, including the construction of interfaces between biological membranes, cells, and non-biological surfaces, and development of Stark spectroscopy, which is applicable to a wide range of molecules and types of transitions. Approaches include ultrafast-to-ultraslow absorption and fluorescence, magnetic resonance, FTIR, microscopy, photolithography, and recombinant DNA methods.


  1. L. Kam; S.G. Boxer "Formation of Supported Lipid Bilayer Composition Arrays by Controlled Mixing and Surface Capture" Journal of the American Chemical Society, 122, 12901-12902, 2000.

  2. S. G. Boxer "Molecular Transport and Organization in Supported Lipid Membranes", Current Opinion in Chemical Biology, 4, 704-709, 2000.

  3. L. Kam; S.G. Boxer "Cell Adhesion to Protein-micropatterned Supported Lipid Bilayer Membranes", Journal of Biomaterials Research, 55, 487-495, 2001

  4. J. S. Hovis; S.G. Boxer "Patterning and Composition Arrays of Supported Lipid Bilayers by Microcontact Printing" 17, 3400-3405, 2001.

  5. B. Lounis, J. Deich, F.I. Rosell, S.G. Boxer; W.E. Moerner, "Photophysics of DsRed, a Red Fluorescent Protein, from the ensemble to the single-molecule level", Journal of Physical Chemistry B, 105, 5048-5054, 2001.

  6. D.J. Olson; J.M. Johnson; S.G. Boxer; and G.G. Fuller; Electrophoresis of DNA Adsorbed to a Cationic Supported Bilayer" Langmuir, 17, 7396-7401, 2001.

  7. C.M. Ajo-Franklin, L. Kam, S.G. Boxer, "High Refractive Index Substrates for Fluorescence Microscopy of Biological Interfaces with High z-Contrast", Proceedings of the National Academy of Sciences, USA, 98, 13643-13648, 2001.

  8. J.T. Groves and S.G. Boxer, "Micropattern Formation in Supported Phospholipid Membranes" Accounts of Chemical Research, 35, 149-157 2002.

  9. B.E. Cohen; T.B. McAnaney; E. Park; Y. Jan; Steven G. Boxer; L.Jan, "Probing electrostatics in proteins using a synthetic fluorescent amino acid", Science, 296, 1700-1703, 2002.

  10. J.M. Johnson; T. Ha; S. Chu; S.G. Boxer, "Early Steps of Supported Lipid Bilayer Formation Probed by Single Vesicle Fluorescence Assays", 89, 3371-3379, 2002.



Kyeongjae (KJ) Cho (top)

Assistant Professor of Mechanical Engineering and (by courtesy) of Materials Science and Engineering; Division of Mechanics and Computation, Stanford University, Stanford, CA. Ph.D., Physics, 1994, MIT, MA. Phone: (650) 723-4354; Fax: (650) 723-1778; email:; Websites:;
He is a Fellow of the Institute of Physics (since 2002) and has received Veridian Outstanding Technical Authors Award (2000), Frederich E. Terman Fellowship (1997-2000), MIT Industry Liaison Fellowship (1988), and Korean Government Overseas Study Fellowship (1988-1990). He is on the Editorial Board of Modeling and Simulation in Materials Science and Engineering.

Kyepongjae (KJ) Cho' research area is computational materials modeling using high-performance supercomputers. To investigate complex materials properties with true predictive power, his group is applying efficient atomistic simulation programs which enable one to study increasingly larger complex materials systems with more accuracy. The complex materials systems he has studied using the atomistic method encompass a wide range of different nanomaterial systems, biomolecules, and electronic materials. For the CPIMA project, he is using the multiscale calculations to investigate the atomic structures and chemical signal transduction at the silicon nanowire - macropolymer interface systems for biosensor applications.


  1. S. Peng and K. Cho, "Nano Electro Mechanics of Semiconducting Carbon Nanotube," J. Appl. Mech. 69, 451 2002.

  2. N.M. Ghoniem and K. Cho, "The Emerging Role of Multiscale Modeling in Nano- and Micro-mechanics of Materials," Comp. Modeling in Engr. & Sci. 3, 147 2002.

  3. J. O'Keeffe, C. Wei, and K. Cho, "Band-structure modulation for carbon nanotubes in uniform electric field," Appl. Phys. Lett. 80, 676 2002.

  4. D. Srivastava, M. Menon, and K. Cho, "Computational Nanotechnology with Carbon Nanotubes and Fullerenes," Comp. in Science & Engineering 3, 42 July/August 2001.

  5. S. Park, D. Srivastava, and K. Cho, "Local reactivity of fullerenes and nano device design," Nanotechnology 12, 245 2001.

  6. A. Kawamoto, J. Jameson, P. Griffin, K. Cho, and R. Dutton, "First-Principles Study of Hf and Zr Silicates for High-K Gate Dielectric Applications," IEEE Electron Dev. Lett. 22, 14 2001.

  7. J. Kong, N. Franklin, C. Zhou, M.G. Chapline, S. Peng, K. Cho, H. Dai, "Nanotube Molecular Wires As Chemical Sensors," Science v.287, 622 2000.

  8. T. Wang, N. Moll, K. Cho, and J.D. Joannopoulos, "Deliberately Designed Materials for Optoelectronics Applications," Phys. Rev. Lett. 82, 3304 1999.

  9. S. Han, K. Cho, and J. Ihm, "Ab initio study on the molecular recognition by metalloporphyrins: CO interaction with iron porphyrin," Phys. Rev. E 59, 2218 1999.

  10. J. Ireta, M. Galvan, K. Cho and J. D. Joannopoulos, "Local Reactivity of Charybdotoxin a K+ Channel Blocker," J. Am. Chem. Soc. 128, 9771 1998.


Rienhold Dauskardt (top)



Curtis W. Frank (top)

William M. Keck, Sr. Professor of Chemical Engineering and (by courtesy) of Materials Science and Engineering and of Chemistry; Polymer Physics and Molecular Assemblies, Stanford University, Stanford, CA. B.A. with High Distinction, Chemical Engineering, 1967, University of Minnesota; M.S., Chemical Engineering, 1969, Ph.D., Chemical Engineering, 1972, University of Illinois, Urbana, IL. Phone: (650) 723-4573; Fax: (650) 723-9780; email:

He is the 1990 Winner of the C.M.A. Stine Award of the Division of Materials Science and Engineering of the American Institute of Chemical Engineers; 1993 Chairman of Division of Polymer Chemistry of the American Chemical Society; other positions in A.C.S. He is a Fellow of the American Physical Society. He is on the Editorial Boards of Polymer and Polymers for Advanced Technologies.

Frank explores the molecular structure of high polymers and small amphiphilic molecules capable of self-organization through photostationary and transient fluorescence, Fourier transform infrared spectroscopy, surface plasmon spectroscopy, and optical and atomic force microscopy. He studies polymers, fatty acids, surface coupling agents, dendrimers and liquid crystals at the air/water interface and in constrained geometries on solid substrates; organic/inorganic nanocomposites; and applications of polymers in microelectronics. He is the Principal Investigator of the National Science Foundation Materials Research Science and Engineering Center on Polymer Interfaces and Macromolecular Assemblies (CPIMA).


  1. Frank, C. W.; Rao, V.; Despotopoulou, M. M.; Pease, R. F. W.; Hinsberg, W. D.; Miller, R. D.; Rabolt, J. F. "Structure in Thin and Ultrathin Spin-cast Polymer Films". Science, 273, 912, 1996.

  2. Chang, Y. -C.; Frank, C. W. "Vapor Deposition-Polymerization of a -Amino Acid N-Carboxyanhydride on the Silicon(100) Native Oxide Surface". Langmuir , 14, 326, 1998.

  3. Xu, C.-B.; Frank, C. W.; Tang, W.T.; Terrill, C. "End Group Effects on Adhesion of Perfluoroether Lubricants to Solid Substrates". J. Adhesion, 67, 195, 1998.

  4. Prucker, O.; Christian, S.; Bock, H.; Ruhe, J.; Frank, C. W.; Knoll, W. "On the Glass Transition in Ultrathin Polymer Films of Different Molecular Architecture". Macromol. Chem. Phys., 199, 1435, 1998.

  5. Frank, C. W., ed., Organic Thin Films: Structure and Applications, ACS Symposium Series, Volume 695, American Chemical Society, 1998.

  6. Brooks, C.F.; Fuller, G.G.; Frank, C.W.; Robertson, C.R. "An Interfacial Stress Rheometer To Study Rheological Transitions in Monolayers at the Air-Water Interface". Langmuir, 15, 2450, 1999.

  7. Naumann, C. A.; Brooks, C.F.; Fuller, G.G.; Knoll, W.; Frank, C.W. "Viscoelastic Properties of Lipopoymers at the Air-Water Interface: A Combined Interfacial Stress Rheometer and Film Balance Study". Langmuir, 15, 7752, 1999.

  8. Prucker, O.; Naumann, C.A.; Rühe, J.; Knoll, W.; Frank, C.W. "Photochemical Attachment of Polymer Films to Solid Surfaces via Monolayers of Benzophenone Derivatives". J. Am. Chem. Soc., 121, 8766, 1999.

  9. Kampf, J.P.; Frank, C.W.; Malmström, E.; Hawker, C.J. "Adaption of Bulk Constitutive Equations to Insoluble Monolayer Collapse at the Air-water Interface". Science, 283, 1730, 1999.

  10. Kampf, J.P.; Frank, C.W.; Malmström, E.; Hawker, C.J. "Stability and Molecular Conformation of Poly(benzyl ether) Monodendrons with Oligo(ethylene glycol) Tails at the Air-water Interface". Langmuir 15, 227, 1999.



Gerry G. Fuller (top)

Chairman of Chemical Engineering, Stanford University, Stanford, CA (b.1953) B.S. Chem. Engr. 1975, University of Calgary; Ph.D. Chem. Engr. 1980, California Institute of Technology. Phone: (650) 723-9243, Fax: (650) 725-7294, email:, Bingham Medal of the Society of Rheology, Fellow of the American Physical Society, NSF Presidential Young Investigator, President of the Society of Rheology.

Our research concerns the dynamics and structure of complex, fluid-fluid interfaces subjected to flow. This experimental effort considers the use of optical probes such as polarimetry, Brewster angle microscopy, and fluorescence microscopy to probe the response of the microstructure of Langmuir monolayers to hydrodynamic forces. These optical methods are complemented by measurements of the mechanical properties of these films using a newly developed "needle" surface viscometer. The aim of this research is to establish the relationship between structure and the interfacial rheology of surfaces containing complex, amphiphilic species, such as polymers, lipids, and liquid crystals.


  1. Brooks, C.F.; Fuller, G.G.; Frank, C.W.; Robertson, C.R. "An Interfacial Stress Rheometer To Study Rheological Transitions in Monolayers at the Air-Water Interface". Langmuir, 15, 2450, 1999.
  2. Vermant, J.; Raynaud, L.; Mewis, J.; Ernst, B.; Fuller, G.G. "Large-scale Bundle Ordering in Sterically Stabilized Latices". J. Coll. Int. Sci., 211, 221, 1999.
  3. Brooks, C.F.; Thiele, J.; Frank, C.W.; O’Brien, D. F.; Knoll, W.; Fuller, G.G. "Surface Shear Rheology of a Polymerizable Lipopolymer Monolayer". in preparation 1999.
  4. Naumann, C. A.; Brooks, C.F.; Fuller, G.G.; Knoll, W.; Frank, C.W. "Viscoelastic Properties of Lipopoymers at the Air-Water Interface: A Combined Interfacial Stress Rheometer and Film Balance Study". Langmuir, 15, 7752, 1999.
  5. Vermant, J.; Raynaud, L.; Mewis, J.; Ernst, B.; Fuller, G.G.;"Large-Scale Bundle Ordering in Sterically Stabilized Latices". J. Coll. Inter. Sci., 211, 221, 1999.
  6. Melle , S.; Fuller, G.G.; Rubio, M. A. "Structure and Dynamics of Magnetorheological Fluids in Rotating Magnetic Fields". Phys. Rev. E, 61, 4111, 2000.
  7. Olson, D. J.; Fuller, G.G. "Contraction and Expansion Flows of Langmuir Monolayers". J. NonNewtonian Fluid Mech., 89, 187, 2000.
  8. Fischer, P.; Brooks, C.F.;Fuller, G.G.; Ritcey, A.; Xiao, Y.; Rahem, T. "Phase Behaviour and Flow Properties of "Hairy-rod" Monolayers". Langmuir, 16, 726, 2000.
  9. Sridhar, T.; Nguyen, D. A.; Fuller, G.G. "Birefringence and Stress Growth in Uniaxial Extension of Polymer Solutions". J. Non-Newt. Fluid Mech., 90, 299, 2000.



Marni Goldman (top)

Education Director, Stanford University, Stanford, CA (b. 1969). B.S., Materials Science Engineering, 1991, University of Pennsylvania; B.A., Psychology, University of Pennsylvania; M.S., Materials Science Engineering, 1993, University of California, Berkeley; Ph.D., Materials Science Engineering, University of California, Berkeley, 1997. Phone: (650) 725-3351; Fax: (650) 725-5558; email:

Goldman’s doctoral and post-doctoral work focussed on the characterization of biomaterials. The effects of sterilization on the structure and properties of ultrahigh molecular weight polyethylene for use in joint replacements as well as on PMMA bone cement were analyzed. More recently, Goldman worked on developing bioactive glass coatings for titanium-based implants.

Goldman has also contributed to the field of science education. She has helped to develop and evaluate exhibits at the Exploratorium. She has assisted in developing curriculum for and teaching elementary students at both the Lawrence Hall of Science and a San Francisco public school. Goldman has worked with undergraduate students at U.C. Berkeley both as a mentor and program coordinator.


  1. Ranganathan, R.; Goldman, M.; Pruitt, L. "The Effect of Sterilization on the Structure and Fatigue Resistance of Ultra High Molecular Weight Polyethylene" Mechanics of Plastics and Plastic Composites, ASME IMECE, ed. by Mary Boyce, 68, 23, 1995.
  2. Goldman, M. Ranganathan, R.; Pruitt, L.; Gronsky, R. "The Effects of Gamma Radiation Sterilization on the Structure and Morphology of Medical Grade Ultra High Molecular Weight Polyethylene After Aging in Air for Five Years" Polymer, 37:14, 2909, 1996.

  3. Goldman, M.; Lee, M.; Pruitt, L.; Gronsky, R. "Oxidation of Ultra High Molecular Weight Polyethylene Characterized by Fourier Transform Infrared Spectrometry" Journal of Biomedical Materials, 37, 43, 1997.

  4. Bailey, L.; Baker, D.; Crane, D.; Goldman, M.; Pruitt, L. "The Effect of Molecular Structure and Processing Variables on the Fatigue Performance of Medical Grade Polyethylenes" The 10th International Conference on Deformation, Yield and Fracture of Polymers, The Institute of Materials, London 1997.

  5. Goldman, M.; Gronsky, R.; Pruitt, L. "The Influence of Sterilization Technique and Aging on the Structure and Morphology of Medical Grade Ultrahigh Molecular Weight Polyethylene" Journal of Materials Science: Materials in Medicine, 9:4 , 207, 1998.

  6. Goldman, M.; Pruitt, L. "A Comparison of the Effects of Gamma Radiation and Plasma Sterilization on the Molecular Structure, Fatigue Resistance and Wear Behavior of UHMWPE" Journal of Biomedical Materials, 40 , 378, 1998.

  7. Goldman, M.; Gronsky, R.; Long, G. G.; Pruitt, L. "The Effects of Hydrogen Peroxide and Sterilization on the Structure of Ultra High Molecular Weight Polyethylene" Polymer Degradation and Stability, 62(1), 97, 1998.

  8. Pelletier, B.; Graham, J.; Goldman, M.; Muller, S.; Ries, M.; Pruitt, L. "The Effect of Sterilization and Aging on the Molecular Properties of Acrylic Bone Cement" Transactions of the 24th Annual Meeting of the Society for Biomaterials, 286, 1998.
  9. Saiz, E.; Pazo, A.; Goldman, M.; Gomez-Vega, J. M.; Tomsia, A. P. "Bioactive Glass Coatings on Ti-based Implants" Transactions of the 24th Annual Meeting of the Society for Biomaterials , 243, 1998.

Wolfgang Knoll (top)

Director, Max-Planck-Institute for Polymer Research, Mainz, Germany; Ph.D. Biophysics, 1976, University of Konstanz, 011-49-6131-379-160, Fax: 011-49-6131-379-360,

Many of our research activities are related to the physics and chemistry of thin organic films and interfaces. We focus, in particular, on optical techniques (linear, nonlinear and integrated) as a means to elaborate the microscopic structure and order and correlate this with the macroscopic properties and functions. Among others, we use surface optical methods based on evanescent waves, e.g., surface plasmon and waveguide spectroscopy. In addition, X-ray and neutron reflectometry are employed to structurally characterize the thin films. Scanning probe microscopies (STM, AFM, SNOM) allow for the high resolution imaging of various surfaces. Major research activities are currently in the field of various kinds of organic/polymeric thin films and complex supramolecular architectures, e.g. 1) molecular layers prepared by a self-assembly process at a solid/ solution interface, 2) multilayer assemblies built up by the Langmuir-Blodgett-Kuhn (LBK) technique, 3) thick functional polymer films in planar waveguide format prepared by spin-casting or by a surface polymerization procedure, called the "grafting-from" process, 4) model membranes tethered to a solid support. This last activity is growing into a larger program related to various aspects of bio-interfaces with major interests in the general area of biocompatibilization, bio-sensing or bio/neuro-electronics.


  1. Prucker, O.; Naumann, C.A.; Rühe, J.; Knoll, W.; Frank, C.W.
    "Photochemical Attachment of Polymer Films to Solid Surfaces via Monolayers of Benzophenone Dervatives"  J. Am. Chem. Soc., 121, 8766-8770, 1999

  2. Knoll, W.; Zizlsperger, M.; Liebermann, T.; Arnold, S.; Badia, A.; Liley, M.; Piscevic, D.; Schmitt, F.-J.; Spinke, J. "Streptavidin Arrays as Supramolecular Architectures in Surface-Plasmon-Optical Sensor Formats" Colloids and Surfaces A, 161, 115-137, 2000

  3. Knoll, W.; Frank, C.W.; Heibel, C.; Naumann, R.; Offenhäusser, A.; Rühe, J.; Schmidt, E.K.; Shen, W.W.; Sinner, A.  "Functional Tethered Lipid Bilayers"  Reviews in Molecular Biotechnology, 74, 137-158, 2000

  4. Morigaki, K.; Baumgart, T.; Offenhäusser, A.; Knoll, W.  "Patterning Solid-Supported Lipid Bilayer Membranes by Lithographic Polymerization of a Diacetylene Lipid"  Angewante Chemie, International Edition, 40/1, 172-174, 2001

  5. Offenhäusser, A.; Knoll, W.  "Cell-Transistor Hybrid Systems and their Potential Applications" Trends in Biotechnology, 19, 62-66, 2001

  6. Neumann, T.; Johansson, M.L.; Kambhampati, D.; Knoll, W.  "Surface-Plasmon Fluorescence Spectroscopy"  Advanced Functional Materials
    12, No. 9, 575-585, 2002

  7. "Advanced Functional Materials" 12, No. 9, 575-585, 2002

  8. Baba, A.; Advincula, R.; Knoll, W.  "In Situ Investigations on the Electrochemical Polymerization and Properties of Polyaniline by Surface Plasmon Optical Techniques"  J. Phys. Chem. B, 106, 1581-1587, 2002

  9. Bolze, J.; Takahasi, M.; Mizuki, J.; Baumgart, T.; Knoll, W.  "X-Ray Reflectivity and Diffraction Studies on the Structure of Lipid and Lipopolymer Langmuir-Blodgett-Films under Controlled Humidity" J. Am. Chem. Soc., 2002 in press


Michael McGehee(top)

Assistant Professor of Materials Science and Engineering, Stanford University, Stanford,CA. A.B. with High Honors, Physics, 1994, Princeton University;  Ph.D., Materials Science, 1999, UC Santa Barbara.  Phone: (650)736-0307; Fax: (650)725-4034; email:

He has received an NSF CAREER Award, a Henry and Camille Dreyfus New Faculty Award and a Dupont Young Professor Award.

McGehee and his students make new materials based on organic semiconductors and use them to make photovoltaic cells, transistors, light-emitting diodes and lasers.  They synthesize nanostructured thin films using block copolymer structure directing agents and electropolymerization, characterize the structure of the films using SEM, AFM, XRD, optical microscopy and XPS depth profiling and use a variety of transport and spectroscopic to measure electrical and optical properties. Their goal is not only to develop of deep understanding of nanostructured organic semiconductors, but to also develop low cost methods for manufacturing electronic and optical devices.


  1. M.D. McGehee, A.J. Heeger "Semiconducting (Conjugated) Polymers as Materials for Solid-State Lasers" Advanced Materials, 12,1655-68, 2000.
  2. P. Yang, G. Wirnsberger, H.C. Huang, S.R. Cordero, M.D. McGehee, B. Scott, T. Deng, G.M. Whitesides, B.F. Chmelka, S.K. Buratto, G.D. Stucky "Mirrorless Lasing from Mesostructured Waveguides Patterned by Soft Lithography" Science, 287, 465-7, 2000.
  3. M.D. McGehee, T. Bergstedt, A.P. Saab, C. Zhang, M. O'Regan, G. Bazan, V. Srdanov, and A.J. Heeger "Narrow Spectral Bandwidth Luminescence From Blends With Energy Transfer From Semiconducting Conjugated Polymers to Europium Complexes" Advanced Materials, 11,1349-54, 1999. (Cover article)
  4. M. D. McGehee, E.K. Miller, D. Moses, A.J. Heeger "Twenty Years of Conducting Polymers:  From Fundamental Science to Applications" in Advances in Synthetic Metals: Twenty Years of Progress in Science and Technology, edited by Patrick Bernier Elsevier, 1999.
  5. M. D. McGehee, M. A. Diaz-Garcia, F. Hide, R. Gupta, E.K. Miller, D. Moses, A.J. Heeger "Semiconducting Polymer Distributed Feedback Lasers" Applied Physics Letters, 72, 1536-8, 1998.


Vijay S. Pande (top)

Assistant Professor of Chemistry and (by courtesy) of SSRL;Stanford University, Stanford, CA (b. 1970). B.A.with Honors, Physics, 1992,Princeton University; Ph.D., Physics, 1995, Massachusetts Institute of Technology. Phone: (650) 723-3660; Fax: (650)725 0259; email:

Pande’s background has centered around molecular biophysics, including his PhD at MIT, where he was an NSF fellow in biophysics, and during his tenure as a Miller Fellow at UC Berkeley.

Pande is interested in understanding the theory of the self-assembly phenomena of biopolymers and applying this understanding to non-biological systems. For example, he works on understanding how proteins and RNA fold and then use the lessons learned to design and characterize synthetic “ foldamers,” such as poly-phenyl acetylene. In order to study these systems, he also develops new computer simulation techniques for studying the kinetics and thermodynamics of proteins, including new algorithms for massively parallel supercomputers and new techniques to greatly speed molecular dynamics calculations, allowing him to reach the microsecond timescale with atomic-resolution models.


  1. Pande, V. S.; Grosberg, A. Yu.; and Tanaka, T. "Thermodynamic Procedure to Synthesize Heteropolymers that can Renature to Recognize a Given Target Molecule''. Proceedings of the National Academy of Science, U.S.A. 91 , 12976, 1994.
  2. Pande, V. S.; Grosberg, A. Yu.; and T. Tanaka, "How Accurate Must Potentials Be for Successful Modeling of Protein Folding?'' Journal of Chemical Physics 103 , 9482, 1995.
  3. Pande, V. S.; Grosberg, A. Yu.; Kardar, M.; Joerg, C.; and Tanaka, T. "FreezingTransition of Compact Polyampholytes''. Physical Review Letters 77 , 3565, 1996.
  4. Pande, V. S.; Grosberg, A. Yu.; Tanaka, T.; and Rokhsar, D. S. "Protein Folding Pathways: Is a `new view' needed?'' Current Opinions in Structural Biology 8, 68-79, 1998.
  5. Golumbfskie, A.; Pande, V. S.; and Chakraborty, A. "Simulation of Biomimetic Recognition Between Polymers and Surfaces''. Proceedings of the National Academy of Science, USA , 96, 11707-11712, 1999.
  6. Pande, V. S.; Grosberg, A. Yu.; and Tanaka, T. "Heteropolymer Freezing and Design: Towards Physical Models of Protein Folding'' Reviews of Modern Physics, 2000.

  7. M. R. Shirts and V. S. Pande. "Mathematical Foundations of Ensemble Dynamics".  Physical Review Letters, 86, 4983, 2001.

  8. B. Zagrovic, C. Snow, S. Khaliq, M. Shirts, and V. S. Pande. "Native-like Structure in the Unfolded State of Proteins". Journal of Molecular Biology, 323, 153, 2002.

  9. C. Snow, H. Nguyn, M. Gruebele, and V. S. Pande.  "Folding of a bba Protein: Simulation and Theory".  Nature, 420, 102, 2002.


John Pople (top)

Eric S.G. Shaqfeh (top)

Associate Professor of Chemical Engineering, (b. 1959), B.S.E. Chem. Eng., 1981, Princeton University, M.S.E., 1982; Ph.D., 1986, Chem. Eng. Stanford University; Post Doc., 1986 Dept. of App. Math. and Theoret. Phys., Cambridge Univ., UK, 1987-1990 Member of Tech. Staff, ATT Bell Laboratories, Murray Hill, N.J. (Fluid, Statistical and Transport Mechanics). Phone: (650)723-3764, Fax: (650)723-9780, email:

Our research is directed toward understanding the rheology of suspensions of colloidal rods and polymers in regions of restricted geometry, i.e. when the flow domain is comparable to the equilibrium dimension of the suspended microstructure. Modern statistical mechanical techniques and large scale computer simulation are used as complementary tools to investigate such phenomena. In particular we are interested in developing nonlocal rheological models which include the added stresses induced by the interaction of the boundaries with the particles or polymers in suspension.

Honors and Awards: Graduated Summa cum Laude, Princeton University, 1981; Phi Beta Kappa, 1981; Tau Beta Pi, 1980; Xerox Award for the Best Undergraduate Chemical Engineering Thesis, Princeton University, 1981; Princeton Academic Scholarship, 1977-81; Stanford Dean’s Fellowship, 1981; Teaching Assistant of the Year, Chemical Eng. Department, Stanford, 1982; NATO Postdoctoral Fellowship (for study in Cambridge, Eng.), 1986; Francois N. Frenkiel Award 1989, Division of Fluid Dynamics, American Physical Society; NSF Presidential Young Investigator 9/90-9/95; David and Lucile Packard Fellow in Science and Engineering, 10/91-10/96; Camille and Henry Dreyfus Teacher-Scholar Award, 5/94; W.M. Keck Foundation Engineering Teaching Excellence Award, 6/94; Curtis W. McGraw Award, ASEE, 7/98; Thiele Lecturer, Chemical Engineering Department, Notre Dame.


  1. Evans, A.R.; Shaqfeh, E.S.G. "The Conformation of Semi-Rigid Polymers During Flow Through a Fixed Fiber Bed". J. Non-Newtonian Fluid Mech., 64, 95, 1996.
  2. Schiek, R.L.; Shaqfeh, E.S.G. "Oscillatory Shear of a Confined Fiber Suspension". J. Rheol., 41(2), 445, 1997.
  3. Schiek, R.L.; Shaqfeh, E.S.G. "Cross Streamline Migration of Slender, Brownian Fibers in Plane Poiseuille Flow". J. Fluid Mech., 332, 23, 1997.
  4. Doyle, P.; Shaqfeh, E.S.G.; Gast, A.P. "Dynamic Simulation of Freely Draining, Flexible Polymers in Steady Linear Flows". J. Fluid Mech , 334, 251, 1997.
  5. Doyle, P.S.; Shaqfeh, E.S.G.; Gast, A.P. "The Rheology of ‘Wet’ Polymer Brushes via Brownian Dynamics Simulation: Steady vs. Oscillatory Shear". Phys. Rev. Lett., 78(6), 1182, 1997.
  6. Doyle, P.; Shaqfeh, E.S.G.; Gast, A.P. "Rheology of Polymer Brushes: A Brownian Dynamics Study". Macromolecules, 31(16), 5474, 1998.
  7. Doyle, P.; Shaqfeh, E.S.G.; McKinley, G.H.; Spiegelberg, S.H. "Relaxation of Dilute Polymer Solutions in Extensional Flow". J. Non-Newtonian. Fluid. Mech., 76, 79, 1998.
  8. Doyle, P.; Shaqfeh, E.S.G. "Dynamic Simulation of Freely Draining, Flexible Bead-rod Chains: Start-Up of Extensional and Shear Flow". J. Non-Newtonian. Fluid. Mech., 76, 43, 1998.
  9. Kwan, T.C.B.; Shaqfeh, E.S.G. " Brownian Dynamics Simulations of the Stress and Molecular Configuration of Polymers in Exponential and Linearly-Ramped Shear Flow". J. of New-Newtonian Fluid Mechanics., 82, 139, 1999.
  10. Babcock, H.; Smith, D.; Hur, J.; Shaqfeh, E.; and Chu, S. "Relating the Microscopic and Macroscopic Response of a Polymeric Fluid in a Shearing Flow" Phys. Rev. Lett., in press, 2000.



Robert Waymouth (top)

Professor of Chemistry and, by courtesy. Chemical Engineering, Stanford University, Stanford CA (b.1960) B.S. Mathematics, B. A. Chemistry, 1982 Washington and Lee University; Ph.D. Chemistry, 1987, California Institute of Technology; Postdoctoral Fellow, 1988 ETH Zurich, Switzerland, Phone: (650)723-4515, Fax: (650) 725-0259, email:

Our research is focused on the development and application of new catalytic reactions applied to the synthesis of macromolecules. These studies have a strong mechanistic focus and are applied both to polymerization reactions as well as other catalytic carbon-carbon bond forming reactions. Much of the focus of the group’s efforts are in designing catalysts to control the sequence distribution of stereocenters (for polypropylene) or comonomers in olefin polymers. We have devised a rational strategy for the synthesis of elastomeric polypropylene. This strategy relies on unbridged indenyl metallocenes designed to interconvert between chiral and achiral geometries during the polymerization reaction to yield isotactic / atactic stereoblock polymers. We are also developing new strategies for the synthesis of block, graft and alternating copolymers of novel structure by combining catalytic polymerization with living free-radical polymerization strategies.


  1. Coates, G.W.; Waymouth, R.M. "Oscillating Stereocontrol in the Polymerization of Propylene: A New Strategy for the Synthesis of Thermoplastic Elastomeric Polypropylene" Science, 267, 217, 1995.

  2. Carlson, E.D.; Terakawa, T.; Fuller, G.G.; Krejchi, M.T.; Shah, C.; Waymouth, R.M. "Rheological and Thermal Properties of Elastomeric Polypropylene". Macromolecules, 31, 5343, 1998.

  3. Leclerc, M.K.; Waymouth, R.M. "Alternating Ethylene/Propylene Copolymerization with Me2C(R,R'Cp)(Flu)ZrMe2/MAO.". Angew. Chem., Int. Ed. Eng., 37, (7), 922, 1998.

  4. Stehling, U.M.; Malmstrom, E.E.; Waymouth, R.M.; Hawker, C.J. "Synthesis of Poly(olefin) Graft Copolymers by a Combination of Metallocene and 'Living' Free Radical Polymerization". Macromolecules, 31, 4396, 1998.

  5. Hu, Y.; Krejchi, M.T.; Shah, C.D.; Waymouth, R.M.; Myers, C.L. "Elastomeric Polypropylenes from Unbridged 2-Phenylindene Zirconocene Catalysts". Macromolecules, 31, 6908, 1998.

  6. Carlson, E. D.; Fuller, G. G.; Waymouth, R. M. "Transient Birefringence of Elastomeric Polypropylene Subjected to Step Shear Strain". Macromolecules, 32, 8094, 1999.

  7. Fox, P. A.; Waymouth, R. M.; Hawker, C. J. "The Synthesis of Poly(propylene-graft-styrene) From a Living Free-radical Macroinitiator". Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 40, 872, 1999.

  8. Benoit, D.; Harth, E.; Fox, P.; Waymouth, R. M.; Hawker, C. J. "Accurate Structural Control and Block Formation in the Living Polymerization of 1,3-Dienes by Nitroxide-Mediated Procedures". Macromolecules, 33, 363, 2000.


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