CURRICULUM VITAE

Scott M. Auerbach

ADDRESS

Department of Chemistry
Lederle Graduate Research Tower, Room 701
710 North Pleasant Street
University of Massachusetts
Amherst, MA 01003-9336

OTHER COORDINATES

Office: Goessmann 222
Office Phone: 413-545-1240
Email: auerbach@chem.umass.edu

Crunch Lab 1: Goessmann 228
Crunch Lab 2: Goessmann 225
Lab 1 Phone: 413-545-0732
Lab 2 Phone: 413-577-3774

Chem Dept Phone: 413-545-4004
Chem Dept Fax: 413-545-4490

APPOINTMENTS

Professor of Chemistry, UMass Amherst, 2004-present
Adjunct Professor of Chem. Eng., UMass Amherst, 1996-present
Associate Professor of Chemistry, UMass Amherst, 2000-2004
Assistant Professor of Chemistry, UMass Amherst, 1995-2000
NSF Postdoc in Chemistry, UC Santa Barbara MRL, 1994-1995

DISSERTATION

Title: "Modern Integral Equation Techniques for Quantum Reactive Scattering Theory"
Chair: Professor William H. Miller

EDUCATION

Ph.D. Chemistry, University of California, Berkeley, 1993
B.S. Chemistry, Georgetown University, 1988, Summa cum Laude
Misc: Certificate in Multicultural Competency, UMass Amherst, 2005

GRANTS AND AWARDS

DOE Renewal in Self Assembly, 2010-2013
Dreyfus Special Grant in Science Education, 2010-2012
NSF Single-PI Grant in Catalyst Design, 2009-2012
NSF EFRI Grant in Biomass Processing, 2009-2013
DOE EFRC Grant in Biofuel Production, 2009-2014
NSF CCI Grant in Proton Transfer, 2007-2010
DOE Grant in Self Assembly, 2007-2010
DOE Grant in Biofuel Catalysis, 2007-2010
NSF Single PI Grant in Catalyst Design, 2006-2009
DOE Grant in Membrane Transport, 2004-2006
NSF NIRT in Microwave Engineering, 2003-2007
UMass Amherst Faculty Research Grant, 2003-2004
NSF NIRT in Materials Science, 2001-2004
NSF MRI in Computational Sciences, 1999-2002
Camille Dreyfus Teacher-Scholar, 1999-2002
Sloan Foundation Research Fellow, 1999-2001
Camille and Henry Dreyfus Special Grant, 1999-2002
National Environmental Tech. Inst. Award, 1998-1999
NSF CAREER Award, 1998-2002
NSF Standard Grant, 1997-2000
Petroleum Research Fund New Investigator, 1996-1998
NSF Starter Grant, 1996-1997
UMass Amherst Faculty Research Grant, 1996-1997

HONORS

College of Natural Science and Mathematics Outstanding Teacher Award, 2006
Distinguished Teaching Award Finalist, 2004, 2008, 2009
NSF Postdoctoral Fellowship, 1994-1996
Sigma Xi Research Society, 1994
NSF Graduate Fellowship, 1988-1991
Georgetown Chemistry Award, 1988
Georgetown Scholar Award, 1988
Phi Beta Kappa, 1987

SCIENTIFIC INTERESTS

Catalysts and Materials for Renewable Energy
Diffusion and Reactivity in Inorganic and Biological Nanopores
Growth and Stabilities of Crystalline and Amorphous Solids
Development of Classical and Quantum Reaction Rate Theories
Empirical Forcefield and Quantum Chemical Energy Calculations
Curricular Reform in Undergraduate Science Education
Gender Issues in Science Education and Policy

INVITED LECTURES

1. Dissertation Lecture hosted by Prof. Claude Leforestier, Jan. 11, 1994
   Institute of Chemical Dynamics, University of Paris-Sud, Orsay, France

2. Dissertation Lecture hosted by Prof. Ad van der Avoird, Jan. 18, 1994
   Institute of Theoretical Chemistry, Nijmegen Catholic University,
   Nijmegen, The Netherlands

3. Faculty Interview Lecture hosted by Prof. William Klemperer, Jan 25, 1995
   Department of Chemistry, Harvard University.

4. Faculty Interview Lecture hosted by Prof. Bret Jackson, Jan 30, 1995
   Department of Chemistry, University of Massachusetts Amherst.

5. Faculty Interview Lecture hosted by Prof. Eric Shaqfeh, Feb 8, 1995
   Department of Chemical Engineering, Stanford University.

6. Departmental Seminar hosted by Prof. Val Haensel, Oct. 19, 1995
   Department of Chemical Engineering, UMass Amherst, MA
   Title: "Kinetic Theory of Transport in Molecular Sieve Catalysts"

7. ACS National Meeting, New Orleans, LA, March 24-29, 1996
   Invited by Prof. Brad Chmelka, Physical Division
   Title: "Kinetics and Dynamics of Reorientation in Zeolites"

8. NATO-ASI on Physical Adsorption, La Colle sur Loup, France, May 19-30, 1996
   Invited by Prof. Jacques Fraissard
   Title: "Kinetics and Dynamics of Molecular Mobility in Zeolites"

9. Corporate R&D Seminar hosted by Dr. Ed Wolynic, June 10, 1996
   Engelhard Corporation, Iselin, NJ
   Title: "Kinetic Theory of Transport in Molecular Sieve Catalysts"

10. Inorganic Chemistry Seminar hosted by Prof. Clare Grey, Oct. 29, 1996
    Department of Chemistry, SUNY Stony Brook, NY
    Title: "Kinetic Theory of Transport in Molecular Sieve Catalysts"

11. Physical Chemistry Seminar hosted by Prof. Andrew Rappe, Nov. 14, 1996
    Department of Chemistry, University of Pennsylvania, PA
    Title: "Kinetic Theory of Transport in Molecular Sieve Catalysts"

12. Department Seminar hosted by Prof. James Haw, March 19, 1997
    Department of Chemistry, Texas A&M University, College Station, TX
    Title: "Kinetic Theory of Hydrocarbon Transport in Zeolites"

13. ACS National Meeting, San Francisco, CA, April 13-17, 1997
    Invited by Prof. Rick Ross, Computational Division
    Title: "Kinetic Theory of Transport in Molecular Sieve Catalysts"

14. New England Catalysis Society Meeting, Worcester, MA, Oct. 25, 1997
    Title: "Modeling the Concentration Dependence of Diffusion in Zeolites"

15. NSF Workshop on "Future Directions in Molecular Simulation and Computational Chemistry: Fundamentals and Applications," Arlington, VA, Nov. 3-4, 1997
    Title: "Theory and Simulation of Diffusion in Zeolites"

16. Northeast Corridor Zeolite Association Meeting, Philadelphia, PA, Dec. 12, 1997
    Title: "Theory and Simulation of Diffusion in Zeolites"

17. Departmental Seminar hosted by Prof. Helen Leung, Feb. 25, 1998
    Department of Chemistry, Mt. Holyoke College, MA
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Molecular Sieve Catalysts"

18. Departmental Seminar hosted by Prof. Chunshan Song, March 2, 1998
    Department of Fuel Science, Penn State University, PA
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Molecular Sieve Catalysts"

19. ACS National Meeting, Dallas, TX, March 29-April 2, 1998
    Invited by Prof. Donald Truhlar, Computational Division
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Zeolites"

20. Departmental Seminar hosted by Prof. Morgan Conn, April 24, 1998
    Department of Chemistry, Amherst College, MA
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Zeolites"

21. ACS Regional Meeting, Cleveland, OH, May 27-29, 1998
    Invited by Dr. Anne Chaka, Catalysis Secretariat
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Zeolites"

22. Twelfth International Zeolite Conference, Baltimore, MD, July 5-10, 1998
    Theory and Modeling Session, Chaired by Profs. Richard Catlow and Wilfried Mortier
    Title: "Modeling Benzene Diffusion in Na-X and Na-Y Zeolites at Finite Loadings"

23. ACS National Meeting, Boston, MA, August 23-27, 1998
    Invited by Dr. Tina Nenoff, Colloid Division and Catalysis Secretariat
    Title: "Kinetic Theory and Transition State Simulation of Dynamics in Zeolites"

24. Condensed Matter Seminar hosted by Prof. Po-zen Wong, Sept. 10, 1998
    Department of Physics and Astronomy, UMass Amherst, MA
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

25. Departmental Seminar hosted by Prof. Dan Colbert, Sept. 15, 1998
    Center for Nanoscale Science and Technology, Rice University, Houston, TX
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

26. Departmental Seminar hosted by Dr. Stephen Jacobson, Sept. 16, 1998
    Chemical and Analytical Sciences Division, Oak Ridge National Lab, Oak Ridge, TN
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

27. Materials Research Society National Meeting, Boston, MA, Nov 30-Dec 4, 1998
    Invited by Dr. Peter Feibelman, Sandia National Laboratories
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

28. Departmental Seminar hosted by Prof. Steve Suib, Feb. 17, 1999
    Department of Chemistry, University of Connecticut, Storrs, CT
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

29. Departmental Seminar hosted by Prof. Doug Doren, March 19, 1999
    Department of Chemistry, University of Delaware, Newark, DE
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

30. ACS National Meeting, Anaheim, CA, March 21-25, 1999
    Invited by Prof. Alex Bell, Computational Division and Catalysis Secretariat
    Title: "Theory and Simulation of Dynamics and Phase Equilibria in Nanopores"

31. Sixteenth North Am. Catalysis Soc. Meeting, Boston, MA, May 31-June 4, 1999
    Invited by Prof. Matt Neurock, Application of Theory to Catalysis
    Title: "Theory and Simulation of Molecules in Nanopores"

32. Corporate R&D Seminar hosted by Dr. Martin Bulow, June 24, 1999
    BOC Group, Murray Hill, NJ
    Title: "Theory and Simulation of Molecules in Faujasite-type Zeolites"

33. Physical Chemistry Seminar hosted by Prof. Cynthia Friend, Sept. 28, 1999
    Department of Chemistry, Harvard University, Cambridge, MA
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions, and Anomalous Diffusion"

34. CECAM Workshop on "Transport of Guest Molecules in Zeolites," Oct. 4-8, 1999
    Invited by Prof. Herve Jobic, Ecole Normale Superieure de Lyon, France
    Title: "Modeling the Effects of Adsorption Equilibrium on Diffusion in Zeolites at High Loadings: Phase Transitions in Many-dimensional Systems, and the Persistence of Fick's Laws for Single-file Systems"

35. Materials Research Society National Meeting, Boston, MA, Nov 29-Dec 3, 1999
    Invited by Prof. Tomas Arias, Massachusetts Institute of Technology
    Title: "Quantum Dynamics in Nanopores: Modeling Proton Transfer in Zeolites with Semiclassical Transition State Theory"

36. Physical Chemistry Seminar hosted by Prof. Rig Hernandez, Feb. 24, 2000
    Department of Chemistry, Georgia Institute of Technology, Atlanta, GA
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions, and Anomalous Diffusion"

37. Physical Chemistry Seminar hosted by Prof. Joel Bowman, Feb. 25, 2000
    Department of Chemistry, Emory University, Atlanta, GA
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions, and Anomalous Diffusion"

38. Physical/Analytical Chemistry Seminar hosted by Prof. Prabir Dutta, May 16, 2000
    Department of Chemistry, Ohio State University, Columbus, OH
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions, and Anomalous Diffusion"

39. ACS Central Regional Meeting, Cincinnati, OH, May 16-19, 2000
    Invited by Dr. Ray D'Alonzo, Procter & Gamble, Co.
    Title: "Theory and Simulation of Associating Molecules in Zeolites"

40. ACS Northeast Regional Meeting, Storrs, CT, June 19-21, 2000
    Invited by Prof. Steve Suib, University of Connecticut
    Title: "Theory and Simulation of Associating Molecules in Zeolites"

41. Chemistry Seminar hosted by Prof. Dick Bates, August 21, 2000
    Department of Chemistry, Georgetown University, Washington, DC
    Title: "Modeling Transport in Nanopores: The Importance of Phase Transitions and Anomalous Diffusion"

42. ACS National Meeting, Washington, DC, August 20-24, 2000
    Invited by Prof. Sharon Hammes-Schiffer, Physical Division
    Title: "Quantum Dynamics in Nanopores: Modeling Proton Transfer in Zeolites with Semiclassical Transition State Theory"

43. ACS National Meeting, Washington, DC, August 20-24, 2000
    Invited by Prof. Suzi Tucker, Computational Division
    Title: "Theory and Simulation of Cohesive Diffusion in Nanopores: Transport in Subcritical and Supercritical Regimes"

44. Chemical Engineering Seminar hosted by Prof. Eldred Chimowitz, Oct 11, 2000
    Department of Chemical Engineering, University of Rochester, Rochester, NY
    Title: "Multiscale modeling of molecules in nanopores: From single molecule dynamics to critical phenomena and permeation in zeolites"

45. Chemistry Seminar hosted by Prof. V. Ramamurthy, Oct 16, 2000
    Department of Chemistry, Tulane University, New Orleans, LA
    Title: "Theory and Simulation of Dynamics in Nanopores"

46. Physical Chemistry Seminar hosted by Prof. J. Doll, Nov 9, 2000
    Department of Chemistry, Brown University, Providence, RI
    Title: "Theory and Simulation of Dynamics in Nanopores"

47. AIChE National Meeting, Los Angeles, CA, Nov 16, 2000
    Invited by Prof. Ed Maginn, Modeling Transport in Porous Materials
    Title: "Orientational Dynamics of Benzene in Na-Y Zeolite at High Loadings"

48. AIChE National Meeting, Los Angeles, CA, Nov 17, 2000
    Invited by Prof. R. Snurr, Modeling Adsorption in Ordered Porous Materials
    Title: "Cluster Monte Carlo Simulations of Phase Transitions and Critical Phenomena in Zeolites"

49. Physical Chemistry Seminar hosted by Prof. B. Chmelka, Nov 20, 2000
    Department of Chemistry, UC Santa Barbara, Santa Barbara, CA
    Title: "Theory and Simulation of Dynamics in Nanopores"

50. Materials Research Society National Meeting, Boston, MA, Nov 28, 2000
    Invited by Prof. Rene Overney, University of Washington
    Title: "Quantum, classical and statistical mechanics of molecules in nanopores: Tunneling, phase transitions and anomalous diffusion"

51. Materials Research Society National Meeting, Boston, MA, Dec 1, 2000
    Invited by Prof. Robin Selinger, Catholic University
    Title: "Multiscale modeling of molecules in nanopores: From single molecule dynamics to critical phenomena of benzene in zeolites"

52. Connecticut Valley Quantum Chemistry Meeting, Amherst, MA, Feb 2, 2001
    Invited by Prof. Phil Westmoreland, University of Massachusetts
    Title: "Modeling Proton Transfer in Zeolites: Quantum Chemistry and Semiclassical Transition State Theory"

53. Chemical Dynamics Symposium in Honor of Bill Miller's 60th Birthday
    Department of Chemistry, UC Berkeley, March 28-31, 2001
    Invited by Prof. Nancy Makri, School of Chemical Sciences, University of Illinois
    Title: "Modeling Proton Transfer in Zeolites: What Level of Dynamics Can We Get Away With?"

54. CCP5 Lectureship, Royal Institution, London, UK, June 4, 2001
    Invited by Prof. Richard Catlow, Director of the Royal Institution
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions and Anomalous Diffusion"

55. CCP5 Lectureship, Oxford University, Oxford, UK, June 5, 2001
    Invited by Prof. Paul Madden, Physical and Theoretical Chemistry Laboratory
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions and Anomalous Diffusion"

56. CCP5 Lectureship, Daresbury Laboratory, Daresbury, UK, June 6, 2001
    Invited by Dr. W. Smith, Computational Science and Engineering Department
    Title: "Quantum, Classical and Statistical Mechanics of Molecules in Nanopores: Tunneling, Phase Transitions and Anomalous Diffusion"

57. Theoretical Chemistry Seminar hosted by Prof. Peter Saalfrank, June 11, 2001
    Department of Chemistry, University of Regensburg, Regensburg, Germany
    Title: "Theory and Simulation of Dynamics in Nanopores: From Proton Tunneling to Anomalous Diffusion"

58. Sonderforschungsbereich Lectureship, University of Leipzig, Germany, June 13, 2001
    Invited by Prof. Reinhold Haberlandt, Institute of Theoretical Physics
    Title: "Theory and Simulation of Dynamics in Nanopores: From Proton Tunneling to Correlated Cation Dynamics"

59. ACS National Meeting, Chicago, IL, August 26-30, 2001
    Invited by Prof. Hannes Jonsson, Physical Division
    Title: "Agony and Ecstasy of Using Molecular Dynamics to Teach Physical Chemistry"

60. Chemistry Department Seminar, Dec 6, 2001
    Department of Chemistry, UMass Amherst
    Title: "Modeling Molecular Claustrophobia in Materials Science"

61. Chemical Engineering Department Seminar, September 26, 2002
    Department of Chemical Engineering, Worcester Polytechnic Institute
    Title: "Modeling Molecular Claustrophobia in Materials Science"

62. AIChE National Meeting, Indianapolis, IN, Nov 7, 2002
    Invited by Prof. D. Vlachos, Multiscale Modeling Methods
    Title: "Modeling Dynamics in Zeolites with Multi-Scale Methods"

63. Physical Chemistry Seminar hosted by Prof. Peter Jordan, Dec 3, 2002
    Department of Chemistry, Brandeis University, Waltham, MA
    Title: "Modeling Molecular Claustrophobia in Materials Science"

64. Chemistry-Biology Interface Chalk Talk, Dec 10, 2002
    NIH Chemistry-Biology Interface Training Program, UMass Amherst
    Title: "Ion Channel Biophysics"

65. Northeast Corridor Zeolite Association Meeting, Philadelphia, PA, Dec 13, 2002
    Title: "Nonequilibrium Molecular Dynamics of Microwave-driven Zeolite-Guest Systems: Loading Dependence of Athermal Effects"

66. NATO-ASI on Fluid Transport in Nanopores, Nice, France, June 16, 2003
    Invited by Prof. Jacques Fraissard
    Title: "Modeling Jump Diffusion in Zeolite Nanopores: I. Principles and Methods"

67. NATO-ASI on Fluid Transport in Nanopores, Nice, France, June 18, 2003
    Invited by Prof. Jacques Fraissard
    Title: "Modeling Jump Diffusion in Zeolite Nanopores: II. Applications"

68. ACS National Meeting, New York, NY, September 10, 2003
    Invited by Prof. Martha Mitchell, Colloid Division
    Title: "Quantum Dynamics in Nanopores: Modeling Proton Transfer in Zeolites with Semiclassical Transition State Theory"

69. CECAM Workshop on "Molecular Simulations of Zeolites: Towards In Silicon Design," Oct. 2-4, 2003
    Invited by Prof. Berend Smit, University of Amsterdam, The Netherlands
    Title: "Modeling Zeolites Doped with Carbon and Nitrogen Bridges"

70. AIChE National Meeting, San Francisco, CA, Nov 19, 2003
    Invited by Profs. R. Snurr and D. Sholl, Modeling Diffusion in Nanopores
    Title: "Modeling Microwave-Driven Zeolites with Non-Equilibrium Molecular Dynamics"

71. Center for Computational Sciences, UMass Amherst, MA, Nov 3, 2004
    Invited by Prof. M. Muthukumar, Polymer Science and Engineering Dept
    Title: "Computing Chemical Dynamics in Zeolite Nanopores"

72. Indira Ghandi Center for Atomic Research, Kalpakkam, India, Dec 10, 2004
    Invited by Dr. N. Mohankumar, Safety Research Institute
    Title: "Simulating Nanopores Driven by Microwaves"

73. Indian Institute of Science, Bangalore, India, Dec 15, 2004
    Invited by Prof. S. Yashonath, Solid State Chemistry Unit
    Title: "Simulating Nanopores Driven by Microwaves"

74. National Chemical Laboratory, Pune, India, Dec 20, 2004
    Joint Indo-US Workshop on Networking and Collaborations in Materials Research
    Invited by Prof. A. Cheetham, FRS, International Center for Materials Research
    Title: "Simulating Nanopores Driven by Microwaves"

75. 19th North Am. Catalysis Soc. Meeting, Philadelphia, PA, May 23-27, 2005
    Invited by Prof. Manos Mavrikakis, Application of Theory to Catalysis
    Title: "Modeling Proton Transfer in Zeolites: Convergence Behavior of Embedded and Constrained Cluster Calculations"

76. Department Seminar at Mt. Holyoke College, June 28, 2005
    Invited by Prof. Maria Gomez, Department of Chemistry
    Title: "Modeling Zeolite Blue Skies: Testing New Compositions and Processes"

77. Gordon Research Conference on Zeolitic and Layered Materials, July 3-7, 2005
    Invited by Prof. Ken Balkus, University of Texas at Dallas
    Title: "Modeling Zeolite Blue Skies: Testing New Compositions and Processes"

78. Northeast Corridor Zeolite Association Meeting, Philadelphia, PA, Dec. 9, 2005
    Invited by Prof. Raul Lobo, University of Delaware Newark
    Title: "Modeling Spontaneous Formation of Precursor Nanoparticles in Clear-Solution Zeolite Synthesis"

79. 3rd International Workshop on Dynamics in Confinement (Confit 2006), Grenoble, France, March 24, 2006
    Invited by Dr. Bernhard Frick and Dr. Michael Marek Koza, Institut Laue-Langevin
    Title: "Equilibrium and Non-Equilibrium Dynamics in Zeolite Nanopores"

80. Frontiers in Inorganic Materials Chemistry (CheethamFest 2006), UC Santa Barbara, April 6-7, 2006
    Invited by Prof. Ram Seshadri, Department of Materials
    Title: "High Octane Computing: From Nanoparticles to Microwave-Driven Zeolites"

81. Physical Chemistry Seminar, University of Southern California, April 10, 2006
    Invited by Prof. Chi Mak, Department of Chemistry
    Title: "High Octane Computing: Modeling Dynamics in Zeolites"

82. Physical Chemistry Seminar, Brooklyn College, Oct 13, 2006
    Invited by Prof. Andrzej Jarzecki, Department of Chemistry
    Title: "High Octane Computing: Modeling the Dynamics of Nano Confinement"

83. Chemical Engineering Department Seminar, April 16, 2007; Department of Chemical Engineering, University of Florida, Gainseville, FL, invited by Prof. Sergey Vasenkov.

84. New England Catalysis Society Meeting, Worcester, MA, April 21, 2007; Title: "High Octane Computing: Modeling Nanoparticles and Microwave Driven Zeolites"

85. Chemical Engineering Department Seminar, May 3, 2007; Department of Chemical Engineering, University of Cincinnati, invited by Prof. Vadim Guliants

86. UMass Amherst/University of Heidelberg Workshop on Computational Sciences; Amherst, MA, May 22, 2007, invited by Prof. M. Muthukumar.

87. 20th North Am. Catalysis Soc. Meeting, Houston, TX, June 17-22, 2007
    Invited by Prof. Robert Davis, Acid/Base Catalysis
    Title: "Modeling Acid/Base Chemistry in Zeolites: Structure and Dynamics Calculations for Comparison with NMR"

88. Physical Chemistry Seminar, February 27, 2008; Department of Chemistry, University of Washington, Seattle, invited by Prof. B. Kahr.

89. ACS National Meeting, Philadelphia, PA, August 17, 2008; Invited by Prof. Mark Johnson, Physical Division; Title: "Modeling proton dynamics in inorganic nanopores and organic scaffolds."

90. 58th National Meeting of the Canadian Chemical Engineering Society, Ottawa, Canada, Oct 21, 2008; Invited by Prof. H. Tezel; Title: "Honoring Doug Ruthven and Jorg Karger: Simulating Microwave-Driven Zeolites"

91. Center for Talented Youth Day, UMass Amherst, Oct 25, 2008; Invited by Prof. J. Fermann; Title: "Chemical Energy: What are the problems? And what are the UMass solutions?"

92. California Agricultural Leadership Foundation, UMass Amherst, March 26, 2009; Invited by M. Wright; Title: "Chemical Energy: What are the problems? And what are the UMass solutions?"

93. IBM-UConn Workshop on High Performance Computing, UConn Storrs, Dec 17, 2008; Invited by Prof. S. Rajasekaran; Title: "Parallel Chain of States Method for Finding Saddle Points in Chemistry"

94. Army Research Laboratory, Aberdeen Proving Ground, MD, May 28, 2009; Invited by Dr. Jim Snyder; Title: "High Octane Computing: Modeling New Molecules and Materials for Green Energy Applications"

95. International Conference on the Environmental Implications and Applications of Nanotechnology, UMass Amherst, June 9-11, 2009; Invited by Prof. Richard Vachet; Title: "Modeling a New Separation Technology Using Microwave-Driven Nanopores"

96. Australian Molecular Modeling Conference (MM2009), July 26-29, 2009, Gold Coast, Queensland, Australia; Invited by Prof. Sean Smith; Title: "Modeling Organic and Inorganic Networks"

97. ACS Northeast Regional Meeting, Hartford, CT, October 8, 2009; Invited by Prof. Steve Suib, Nanotechnology Symposium; Title: "High Octane Computing: Modeling Nanostructures for Renewable Energy Applications"

98. Short Course on Computational Materials Science, Department of Chemistry, Universidad Industrial de Santander, Bucaramanga, Colombia, Oct 21, 2009; Invited by Prof. Cristian Blanco; Lecture #1 Title: "Computing Chemical Dynamics in Zeolite Nanopores"

99. Short Course on Computational Materials Science, Department of Chemistry, Universidad Industrial de Santander, Bucaramanga, Colombia, Oct 22, 2009; Invited by Prof. Cristian Blanco; Lecture #2 Title: "High Octane Computing: Modeling Microwave Driven Dynamics in Nanopores"

100. Short Course on Computational Materials Science, Department of Chemistry, Universidad Industrial de Santander, Bucaramanga, Colombia, Oct 23, 2009; Invited by Prof. Cristian Blanco; Lecture #3 Title: "Modeling Proton Transfer in Frameworks: Acid Zeolites vs. Organic Proton Wires"

101. Short Course on Computational Materials Science, Department of Chemistry, Universidad Industrial de Santander, Bucaramanga, Colombia, Oct 26, 2009; Invited by Prof. Cristian Blanco; Lecture #4 Title: "Modeling Assembly of Silica Zeolites: Mechanistic Insights from Monte Carlo Simulations"

102. Short Course on Computational Materials Science, Department of Chemistry, Universidad Industrial de Santander, Bucaramanga, Colombia, Oct 27, 2009; Invited by Prof. Cristian Blanco; Lecture #5 Title: "Computational Catalyst Design: Insights into Basic Zeolites from Quantum Chemistry"

103. Gas Research Technologies (GRT), Inc., Goleta, CA, March 15, 2010; Invited by GRT President, Prof. Eric McFarland; Title: "Computational Catalyst Design: Insights into Basic Zeolites from Quantum Chemistry"

104. Physical Chemistry Seminar, University of California, Santa Barbara, March 16, 2010; Invited by Prof. Horia Metiu; Title: "Modeling Dynamics in Organic and Inorganic Chemical Networks"

105. Chemical Engineering Colloquium, University of California, Santa Barbara, May 13, 2010; Invited by Prof. Brad Chmelka; Title: "Simulating Non-Equilibrium States of Zeolites and Their Precursors"

106. Theoretical Chemistry Seminar, Los Alamos National Laboratory, Los Alamos, NM, May 26, 2010; Invited by Dr. Neil Henson; Title: "Simulating Non-Equilibrium States of Zeolites and Their Precursors"

PUBLICATIONS (those with * are not peer reviewed)

1. Scott M. Auerbach and Wise Young, "Total phosphate determination in brain tissue: A method for regional determination ot total phosphate in rat brain," CNS Trauma 4, 53-61 (1987). [Abstract] [Reprint Request]

2. Scott M. Auerbach, John Z. H. Zhang, and William H. Miller, "Comparison of quantum scattering calculations for the reaction H+H₂ (para) -> H+H₂ (ortho) using the LSTH and the DMBE potentials," J. Chem. Soc., Faraday Trans. 86, 1701-1704 (1990). [Abstract] [Reprint Request]

3. Scott M. Auerbach and William H. Miller, "Quantum mechanical reaction probabilities with a power series Green's function," J. Chem. Phys. 98, 6917-6928 (1993). [Abstract] [PDF]

4. Scott M. Auerbach and Claude Leforestier, "A new computational algorithm for Green's functions: Fourier transform of the Newton polynomial expansion," Comput. Phys. Commun. 78, 55-66 (1993). [Abstract] [Reprint Request]

5. Scott M. Auerbach and William H. Miller, "Efficient polynomial expansion of the scattering Green's function: Application to the D+H₂ (n=1) rate constant," J. Chem. Phys. 100, 1103-1112 (1994). [Abstract] [PDF]

6. Scott M. Auerbach, Neil J. Henson, Anthony K. Cheetham, and Horia I. Metiu, "Transport theory for cationic zeolites: Diffusion of benzene in Na-Y," J. Phys. Chem. 99, 10600-10608 (1995). [Abstract] [PDF]

7. Scott M. Auerbach, Lucy M. Bull, Neil J. Henson, Horia I. Metiu, and Anthony K. Cheetham, "Behavior of benzene in Na-X and Na-Y zeolites: A comparative study by ²H NMR and molecular mechanics," J. Phys. Chem. 100, 5923-5930 (1996). [Abstract] [PDF]

8. Scott M. Auerbach and Horia I. Metiu, "Diffusion in zeolites via cage-to-cage kinetics: Modeling benzene diffusion in Na-Y," J. Chem. Phys. 105, 3753-3760 (1996). [Abstract] [PDF]

9. Scott M. Auerbach and Horia I. Metiu, "Modeling orientational randomization in zeolites: A new probe of intracage motion, diffusion and cation disorder," J. Chem. Phys. 106, 2893-2905 (1997). [Abstract] [PDF]

10. Scott M. Auerbach, "Analytical theory of benzene diffusion in Na-Y zeolite," J. Chem. Phys. 106, 7810-7815 (1997). [Abstract] [PDF]

11. Chandra Saravanan and Scott M. Auerbach, "Modeling the Concentration Dependence of Diffusion in Zeolites: I. Analytical Theory for Benzene in Na-Y," J. Chem. Phys. 107, 8120-8131 (1997). [Abstract] [PDF]

12. Chandra Saravanan and Scott M. Auerbach, "Modeling the Concentration Dependence of Diffusion in Zeolites: II. Kinetic Monte Carlo Simulations of Benzene in Na-Y," J. Chem. Phys. 107, 8132-8137 (1997). [Abstract] [PDF]

13. Fabien Jousse and Scott M. Auerbach, "Activated Diffusion of Benzene in Na-Y: Rate Constants from Transition State Theory with Dynamical Corrections," J. Chem. Phys. 107, 9629-9639 (1997). [Abstract] [PDF]

14. Chandra Saravanan, Fabien Jousse and Scott M. Auerbach, "Modeling the Concentration Dependence of Diffusion in Zeolites: III. Testing Mean Field Theory for Benzene in Na-Y with Simulation," J. Chem. Phys. 108, 2162-2169 (1998). [Abstract] [PDF]

15. Chandra Saravanan, Fabien Jousse and Scott M. Auerbach, "Ising Model of Diffusion in Molecular Sieves," Phys. Rev. Lett. 80, 5754-5757 (1998). [Abstract] [PDF]

16. Fabien Jousse, Scott M. Auerbach and Daniel P. Vercauteren, "Capturing the Concentration Dependence of Trans-2-butene Diffusion in Silicalite-2 with a Jump Diffusion Model," J. Phys. Chem. B 102, 6507-6514 (1998). [Abstract] [PDF]

17. Chandra Saravanan and Scott M. Auerbach, "Simulations of High T_c Vapor-Liquid Phase Transitions in Nanoporous Materials," J. Chem. Phys. 109, 8755-8758 (1998). [Abstract] [PDF]

18. Daniel E. Favre, Dieter J. Schaefer, Scott M. Auerbach and Bradley F. Chmelka, "Direct Measurement of Intercage Hopping in Strongly Adsorbing Guest-Zeolite Systems," Phys. Rev. Lett. 81, 5852-5855 (1998). [Abstract] [PDF]

19. Scott M. Auerbach, Chandra Saravanan and Fabien Jousse, "Modeling Benzene Diffusion in Na-X and Na-Y Zeolites at Finite Loadings," in Proceedings of the 12th International Zeolite Conference, vol. I, edited by M. M. J. Treacy, B. Marcus, J.  B. Higgins and M. E. Bisher (Materials Research Society: Warrendale, PA, 1999) pp. 357-362. [Abstract] [Reprint Request]

20. Chandra Saravanan, Fabien Jousse and Scott M. Auerbach, "Kinetic Theory and Transition State Simulation of Dynamics in Zeolites," in Transition State Modeling for Catalysis, edited by Donald G. Truhlar and Keiji Morokuma, ACS Symp. Ser. 721, 296-306 (1999). [Abstract] [Reprint Request]

21. Peter H. Nelson and Scott M. Auerbach, "Modeling Tracer Counter-Permeation through Anisotropic Zeolite Membranes: From Mean Field Theory to Single File Diffusion," invited by Chem. Eng. J. 74, 43-56 (1999). [Abstract] [Reprint Request]

22. Peter H. Nelson and Scott M. Auerbach, "Self Diffusion in Single-File Zeolite Membranes is Fickian at Long Times," J. Chem. Phys. 110, 9235-9243 (1999). [Abstract] [PDF]

23. Chandra Saravanan and Scott M. Auerbach, "Theory and Simulation of Cohesive Diffusion in Nanopores: Transport in Subcritical and Supercritical Regimes," J. Chem. Phys. 110, 11000-11010 (1999). [Abstract] [PDF]

24. Amy H. Roy, Rachel R. Broudy, Scott M. Auerbach and William J. Vining, "Teaching Materials that Matter: An Interactive, Multi-media Module on Zeolites in General Chemistry," Chemical Educator 4(3), 1-14 (1999). [Abstract] [PDF]

25. Eugenio Jaramillo and Scott M. Auerbach, "New Forcefield for Na Cations in Faujasite-type Zeolites," J. Phys. Chem. B 103, 9589-9594 (1999). [Abstract] [PDF]

26. Fabien Jousse, Scott M. Auerbach and Daniel P. Vercauteren, "Correlation Effects in Molecular Diffusion in Zeolites at Infinite Dilution," J. Chem. Phys. 112, 1531-1540 (2000). [Abstract] [PDF]

27. Fabien Jousse, Scott M. Auerbach and Daniel P. Vercauteren, "Adsorption Sites and Diffusion Rates of Benzene in HY by Forcefield-Based Simulations," J. Phys. Chem. B 104, 2360-2370 (2000). [Abstract] [PDF]

28. Justin T. Fermann, Cristian Blanco and Scott M. Auerbach, "Modeling Proton Mobility in Acidic Zeolite Clusters: I. Convergence of Transition State Parameters from Quantum Chemistry," J. Chem. Phys. 112, 6779-6786 (2000). [Abstract] [PDF]

29. Justin T. Fermann and Scott M. Auerbach, "Modeling Proton Mobility in Acidic Zeolite Clusters: II. Room Temperature Tunneling Effects from Semiclassical Rate Theory," J. Chem. Phys. 112, 6787-6794 (2000). [Abstract] [PDF]

30. Scott M. Auerbach, "Theory and Simulation of Jump Dynamics, Diffusion and Phase Equilibrium in Nanopores," invited by International Reviews in Phys. Chem. 19(12), 155-198 (2000).* [Abstract] [Preprint PDF]

31. Fabien Jousse, Scott M. Auerbach, Herve Jobic and Daniel P. Vercauteren, "Simulations of Low-frequency Vibrations of Adsorbed Molecules in Zeolites," J. Phys. IV France 10, 147-150 (2000). [Abstract] [Reprint Request]

32. Ilija Dukovski, Jon Machta, Chandra Saravanan and Scott M. Auerbach, "Cluster Monte Carlo Simulations of Phase Transitions and Critical Phenomena in Zeolites," J. Chem. Phys. 113, 3697-3703 (2000). [Abstract] [PDF]

33. Fabien Jousse, Daniel P. Vercauteren and Scott M. Auerbach, "How Does Benzene in Na-Y Couple to Zeolite Framework Vibrations," J. Phys. Chem. B 104, 8768-8778 (2000). [Abstract] [PDF]

34. Cristian Blanco, Chandra Saravanan, Melissa Allen and Scott M. Auerbach, "Modeling Benzene Orientational Randomization in Na-Y Zeolite at Finite Loadings with Kinetic Monte Carlo and Master Equation Methods," J. Chem. Phys. 113, 9778-9787 (2000). [Abstract] [PDF]

35. Peter H. Nelson, Michael Tsapatsis and Scott M. Auerbach, "Modeling Permeation Through Anisotropic Zeolite Membranes with Nanoscopic Defects," J. Membrane Sci. 184(2), 245-255 (2001). [Abstract] [PDF]

36. Justin T. Fermann and Scott M. Auerbach, "Modeling Proton Mobility in Acidic Zeolite Clusters: III. A Sudden Approximation via Semiclassical Rate Theory," J. Phys. Chem. A 105, 2879-2884 (2001). [Abstract] [PDF]

37. Scott M. Auerbach, "Changing Chemistry's Hidden Curriculum," Chemical & Engineering News, March 26, 2001, 214.* [Abstract] [PDF]

38. Scott M. Auerbach, Fabien Jousse and Daniel P. Vercauteren, "Dynamics of Sorbed Molecules in Zeolites," in Computer Modelling of Microporous and Mesoporous Materials," edited by C. R. A. Catlow, R. A. van Santen and B. Smit, Elsevier, Amsterdam, pp. 49-108 (2004).* [Abstract] [Preprint PDF]

39. Kwang H. Lim, Fabien Jousse, Scott M. Auerbach and Clare P. Grey, "Double Resonance NMR and Molecular Simulations of Hydrofluorocarbon Binding on Faujasite Zeolites NaX and NaY: The Importance of Hydrogen Bonding in Controlling Adsorption Geometries," J. Phys. Chem. B 105, 9918-9929 (2001). [Abstract] [PDF]

40. Justin T. Fermann and Scott M. Auerbach, "Reaction Dynamics in Acidic Zeolites: Room Temperature Tunneling Effects," in Zeolites and Mesoporous Materials at the Dawn of the 21^st Century: Proceedings of the 13^th International Zeolite Conference, A. Galarneau, F. Di Renzo, F. Fajula and J. Vedrine (editors), Stud. Surf. Sci. Catal. 135, Elsevier, Amsterdam, 2001. [Abstract] [PDF]

41. Eugenio Jaramillo, Clare P. Grey and Scott M. Auerbach, "Molecular Dynamics Studies of Hydrofluorocarbons in Faujasite-type Zeolites: Modeling Guest-induced Cation Migration in Dry Zeolites," J. Phys. Chem. B 105, 12319-12329 (2001). [Abstract] [PDF]

42. Andreas Schuring, Scott M. Auerbach, Siegfried Fritzsche and Reinhold Haberlandt, "On Entropic Barriers for Diffusion in Zeolites: A Molecular Dynamics Study," J. Chem. Phys. 116, 10890-10894 (2002). [Abstract] [PDF]

43. Cristian Blanco and Scott M. Auerbach, "Microwave-Driven Zeolite-Guest Systems Show Athermal Effects from Non-Equilibrium Molecular Dynamics," J. Am. Chem. Soc. Communication 124(22), 6250-6251 (2002). [Abstract] [PDF]

44. Jorg Karger, Sergey Vasenkov and Scott M. Auerbach, "Diffusion in Zeolites," in Handbook of Zeolite Science and Technology, Editors S. M. Auerbach, K. A. Carrado and P. K. Dutta, Marcel Dekker, Inc., New York, pp. 341-422 (2003). [Abstract] [Preprint PDF]

45. Cristian Blanco and Scott M. Auerbach, "Nonequilibrium Molecular Dynamics of Microwave-driven Zeolite-Guest Systems: Loading Dependence of Athermal Effects," J. Phys. Chem. B 107(22), 2490-2499 (2003).

    [Abstract and PDF]

46. Srinivas C. Turaga and Scott M. Auerbach, "Calculating Free Energies for Diffusion in Tight-Fitting Zeolite-Guest Systems: Local Normal-Mode Monte Carlo," J. Chem. Phys. 118, 6512-6517 (2003). [Abstract] [PDF]

47. Roope Astala and Scott M. Auerbach, "The Properties of Methylene- and Amine-Substituted Zeolites from First Principles," J. Am. Chem. Soc. 126, 1843-1848 (2004). [Abstract] [PDF]

48. Harikrishnan Ramanan and Scott M. Auerbach, "Modeling Jump Diffusion in Zeolites: I. Principles and Methods," in NATO-ASI Series C: Fluid Transport in Nanopores, edited by J. Fraissard and W.C. Conner, Kluwer Academic Publishers, Dordrecht, The Netherlands, 93-124 (2006).* [Abstract] [PDF]

49. Scott M. Auerbach, "Modeling Jump Diffusion in Zeolites: II. Applications," in NATO-ASI Series C: Fluid Transport in Nanopores, edited by J. Fraissard and W.C. Conner, Kluwer Academic Publishers, Dordrecht, The Netherlands, 535-551 (2006).* [Abstract] [PDF]

50. N. Mohankumar and Scott M. Auerbach, "On the Use of Higher-Order Formulas for Numerical Derivatives in Scientific Computing," Comput. Phys. Commun. 161, 109-118 (2004). [Abstract] [PDF]

51. Cristian Blanco and Scott M. Auerbach, "Simulating Microwave-Heated Diffusion in Zeolite Nanopores," J. Comput. Theor. Nanosci. 1, 180-186 (2004). [Abstract] [Preprint PDF]

52. Roope Astala, Scott M. Auerbach and Peter A. Monson, "Density Functional Theory Study of Silica Zeolite Structures: Stabilities and Mechanical Properties of SOD, LTA, CHA, MOR and MFI," J. Phys. Chem. B 108, 9208-9215 (2004). [Abstract] [PDF]

53. Andreas Schuring, Scott M. Auerbach, Siegfried Fritzsche and Reinhold Haberlandt, "Random Walk Treatment of Dumb-Bell Molecules in an LTA Zeolite and in Chabazite," Stud. Surf. Sci. Catal. 154, 2110-2117 (2004). [Abstract] [Preprint PDF]

54. Matthew H. Ford, Scott M. Auerbach and Peter A. Monson, "On the Mechanical Properties and Phase Behavior of Silica: A Simple Model Based on Low Coordination and Strong Association," J. Chem. Phys. 121, 8415-8422 (2004). [Abstract] [PDF]

55. Harikrishnan Ramanan, Michael Tsapatsis and Scott M. Auerbach, "Beyond Lattice Models of Activated Transport in Zeolites: High-temperature Molecular Dynamics of Self- and Cooperative-Diffusion of Benzene in NaX," J. Phys. Chem. B 108, 17171-17178 (2004). [Abstract] [PDF]

56. Harikrishnan Ramanan, Michael Tsapatsis and Scott M. Auerbach, "Predicting Benzene Fluxes in NaX Membranes from Atomistic Simulations of Cooperative Diffusivities," J. Phys. Chem. B 108, 17179-17187 (2004). [Abstract] [PDF]

57. Roope Astala, Scott M. Auerbach and Peter A. Monson, "Normal Mode Approach for Predicting the Mechanical Properties of Solids from First Principles: Application to Compressibility and Thermal Expansion of Zeolites," Phys. Rev. B 71, art. no. 014112 (2005). [Abstract] [PDF]

58. Justin T. Fermann, Teresa Moniz, Oliver Kiowski, Timothy J. McIntire, Scott M. Auerbach, Thom Vreven and Michael J. Frisch, "Modeling Proton Transfer in Zeolites: Convergence Behavior of Embedded and Constrained Cluster Calculations," J. Chem. Theory Comput. 1, 1232-1239 (2005). [Abstract] [PDF]

59. Aldo F. Combariza, Ethan Sullivan, Scott M. Auerbach and Cristian Blanco, "Simulating the Relaxation Dynamics of Microwave Driven Zeolites," J. Phys. Chem. B 109, 18439-18444 (2005). [Abstract] [PDF]

60. Miguel Jorge, Scott M. Auerbach, Peter A. Monson, "Modeling Spontaneous Formation of Precursor Nanoparticles in Clear-Solution Zeolite Synthesis," J. Am. Chem. Soc. 127, 14388-14400 (2005). [Abstract] [PDF]

61. Scott M. Auerbach, Matthew H. Ford and P. A. Monson, "New Insights into Zeolite Formation from Molecular Modeling," Curr. Opin. Colloid Inter. Sci. 10, 220-225 (2005). [Abstract] [PDF]

62. Herve Jobic, Harikrishnan Ramanan, Scott M. Auerbach, Michael Tsapatsis and Peter Fouquet, "Probing Cooperative Jump-Diffusion in Zeolites: Neutron Spin-Echo Measurements and Molecular Dynamics Simulations of Benzene in NaX," Microporous and Mesoporous Materials 90, 307-313 (2006). [Abstract] [PDF]

63. Aldo F. Combariza, Ethan Sullivan and Scott M. Auerbach, "Simulating Non-Equilibrium Dynamics of Molecules Confined in Zeolite Nanopores: Effects of Implicit and Explicit Thermostats on Microwave Heated Fluids," Eur. Phys. J. Special Topics 141, 93-99 (2007). [Abstract] [Preprint]

64. Miguel Jorge, Scott M. Auerbacn and Peter A. Monson, "Modeling the Thermal Stability of Precursor Nanoparticles in Zeolite Synthesis," Mol. Phys. 104, 3513-3522 (2006). [Abstract] [PDF]

65. N. Mohankumar and Scott M. Auerbach, "On Time-Step Bounds in Unitary Quantum Evolution Using the Lanczos Method," Comput. Phys. Commun. 175, 473-481 (2007). [Abstract] [PDF]

66. Karl D. Hammond, Geoffrey A. Tompsett, Scott M. Auerbach and W. Curtis Conner, Jr., "Apparatus for Measuring Physical Adsorption on Intact Supported Porous Membranes," J. Porous Mat. 14, 409-416 (2007). [Abstract] [PDF]

67. Matthew H. Ford, Scott M. Auerbach and Peter A. Monson, "Further Studies of a Simple Atomistic Model of Silica: Thermodynamic Stability of Zeolite Frameworks as Silica Polymorphs," J. Chem. Phys. 126, 144701 (2007). [Abstract] [PDF]

68. Karl D. Hammond, Geoffrey A. Tompsett, Scott M. Auerbach and W. Curtis Conner, Jr., "Physical Adsorption Analysis of Intact Supported MFI Zeolite Membranes," Langmuir 23, 8371-8384 (2007). [Abstract] [PDF]

69. Usha Viswanathan, Leanna K. Toy, Justin T. Fermann, Scott M. Auerbach, Thom Vreven and Michael J. Frisch, "Modeling Proton Jumps in HY Zeolite: Effects of Acid Site Heterogeneity," J. Phys. Chem. C 111, 18341-18347 (2007). [Abstract] [PDF]

70. Edward K. Nyutu, W. Curtis Conner, Scott M. Auerbach and Steven L. Suib, "Ultrasonic Nozzle Spray In-Situ Mixing and Microwave-Assisted Preparation of Nanocrystalline Spinel Metal Oxides: Nickel Ferrite and Zinc Aluminate," J. Phys. Chem. C 112, 1407-1414 (2008). [Abstract] [PDF]

71. Andreas Schuring, Scott M. Auerbach and Siegfried Fritzsche, "A Simple Method for Sampling Partition Function Ratios," Chem. Phys. Lett. 450, 164-169 (2007). [Abstract] [PDF]

72. N. Mohankumar and Scott M. Auerbach, "Some Comments on the Use of a Higher-Order Formula for Numerical Derivatives in Scientific Computing," Comput. Phys. Commun. 179, 773-776 (2008). [Abstract] [Preprint PDF]

73. Karl D. Hammond, Mei Hong, Geoffrey A. Tompsett, Scott M. Auerbach, John L. Falconer and W. Curtis Conner, Jr., "High-Resolution Physical Adsorption on Supported Borosilicate Zeolite Membranes," J. Membrane Sci. 325, 413-419 (2008). [Abstract] [PDF]

74. Karl D. Hammond, Fulya Dogan, Geoffrey A. Tompsett, Vishal Agarwal, W. Curtis Conner, Jr., Clare P. Grey and Scott M. Auerbach, "Spectroscopic Signatures of Nitrogen-Substituted Zeolites," J. Am. Chem. Soc. Communications 130, 14912-14913 (2008). [Abstract] [PDF]

75. Murad Gharibeh, Geoffrey A. Tompsett, Fan Lu, Scott M. Auerbach, K. Sigrid Yngvesson and W. Curtis Conner, Jr., "Temperature Distributions within Zeolite Precursor Solutions in the Presence of Microwaves," J. Phys. Chem. B (cover feature) 113, 12506-12520 (2009). [PDF]

76. Karl D. Hammond and Scott M. Auerbach, "Modeling the Structure and Spectroscopy of Alkaline Zeolites," in Silica and Silicates in Modern Catalysis, Ed. Istvan Halasz, Research Signpost (www.ressign.com), in press (2010). [PDF]

77. Julian Santander, W. Curtis Conner, Jr., Herve Jobic and Scott M. Auerbach, "Simulating Microwave-Heated Open Systems: Tuning Competitive Sorption in Zeolites," J. Phys. Chem. B 113, 13776-13781 (2009). [PDF]

78. Fulya Dogan, Karl D. Hammond, Geoffrey A. Tompsett, Huo Hua, W. Curtis Conner, Jr., Scott M. Auerbach and Clare P. Grey, "The Search for Microporous, Strongly Basic Catalysts: Experimental and Calculated 29Si NMR Spectra of Heavily Nitrogen-Doped Y Zeolites," J. Am. Chem. Soc. 131, 11062-11079 (2009). [PDF]

79. Karl D. Hammond, Murad Gharibeh, Geoffrey A. Tompsett, Fulya Dogan, Autumn V. Brown, Clare P. Grey, Scott M. Auerbach, and W. Curtis Conner, Jr., "Optimizing the Synthesis of Nitrogen Substituted Zeolites," Chem. Mater. 22, 130-142 (2010). [PDF]

80. Vishal Agarwal, George W. Huber, W. Curtis Conner, Jr. and Scott M. Auerbach, "DFT Study of Nitrided Zeolites: Mechanism of Nitrogen Substitution in HY and Silicalite," J. Catal. 269, 53-63 (2010). [PDF]

81. Vishal Agarwal, George W. Huber, W. Curtis Conner, Jr. and Scott M. Auerbach, "Kinetic Stability of Nitrogen-Substituted Sites in HY and Silicalite from First Principles," J. Catal. 270, 249-255 (2010). [PDF]

82. Lin Jin, Scott M. Auerbach and Peter A. Monson, "Modeling Nanoparticle Formation During Early Stages of Zeolite Growth: A Low-Coordination Lattice Model of Template Penetration," J. Phys. Chem. C 114, 14393-14401 (2010). [PDF]

SUBMITTED PUBLICATIONS (AND THOSE IN-PREPARATION)