Advanced Materials Laboratory

Sandia National Laboratories

1001 University Blvd SE

Albuquerque, NM  87106

Phone 505-272-7160

Fax 505-272-7077

E-mail jasheln@unm.edu

Website  http://jasheln.unm.edu

 

John A. Shelnutt

Current Position

1979 - Present                  Sandia National LaboratoriesAlbuquerque, NM

Distinguished Member of Technical Staff

·    Biomolecular Materials and Interfaces Department

1989 - Present                  University of New Mexico        Albuquerque, NM

Distinguished National Laboratory Professor of Chemistry

·    Department of Chemistry

Professional Experience

1976-1979                          Georgia Institute of Technology        Atlanta, GA

Research Assistant Professor

·    School of Physics:  Theory of Raman excitation spectra

1977 - 1979                        AT&T Bell Laboratories             Murray Hill, NJ

Consultant

Biophysical studies of heme proteins using a dual-channel resonance Raman spectrometer co-developed with Denis Rousseau.

1968 - 1970                        Naval Weapons Center                  China Lake, CA

Systems Analyst

Systems Analysis Division (Fuze Dept.):  Missile and airplane simulations.

Education

1971 - 1975                        Georgia Institute of Technology        Atlanta, GA

Doctor of Philosophy in the School of Physics

·    MS in Physics – 1971

·    BS in Physics – 1968

Teaching Experience

1989 – Present                 

Graduate-Level Chemistry Courses Taught:

·    Electronic Structure Theory – Chem 501

·    Fundamentals of Vibronic Spectroscopy – Chem 566

·    Molecular Simulations – Chem 567

Directed research for more than ten graduate students with three PhDs granted.

Research Interests

·    Fundamental studies of tetrapyrrole-containing proteins using computational and experimental methods, in particular, molecular mechanics, Normal-Coordinate Structural Decomposition (NSD), and resonance Raman spectroscopy. 

·    Molecular mechanics and quantum chemical theoretical methods applied to designing molecular optical switches, catalysts, photomediators, chemical sensors, and nano-structured materials. 

·    Experimental and theoretical studies of basic photo-physical processes in biomolecular systems and their biomimes. 

·    Theory of vibronic molecular states and resonance Raman scattering.

Awards received

·    6 Sandia National Laboratories Awards for Excellence (1992, 1993, 1994[2], 1995, 1999)

·    Employee Recognition Award (1995)

Research Funding

Current:

·    Principal Investigator-SNL/LDRD:  Computer-Designed Ionophores for Metal Ion Extraction and Transport, 1998-2000, FY00-$280K

·    Principal Investigator-DOE/BES:  Molecular Nanocomposites, FY00-$350K.

Pending:

·    Principal Investigator- NIH/NIGMS/BMT:  Nonplanar Hemes in Proteins, 4-years, $833K

Professional memberships

·        American Chemical Society

·        American Physical Society

·        Biophysical Society

·        Sigma ci

·        American Association for the Advancement of Science

Patents and publications

·        Over 150 refereed publications  (see attached list)

·        3 patents, 1 pending (see attached list)

Security clearance

Q

References

Prof. Kevin M. Smith                                               Prof. Mark R. Ondrias

Vice Chancellor for Research                                    Department of Chemistry

Department of Chemistry                                           University of New Mexico

University of California                                              Albuquerque, NM  87131

Davis, CA  95616                                                       

Dr. Alan Hurd                                                            Prof. W. Robert Scheidt

New Materials Theory                                               Department of Chemistry

   and Validation Department                                    Notre Dame University

Sandia National Laboratories                                    South Bend, IN  46556

1001 University Blvd SE

Albuquerque, NM  87106

Prof. Reinhard Schweitzer-Stenner                      Prof. Denis Rousseau

University of Puerto Rico                                          Albert Einstein College of

Department of Chemistry                                              Medicine of Yeshiva Univ.

PO Box 23300                                                             Department of Physiology

San Juan, PR 00931-3300                                             & Biophysics

                                                                                      1300 Morris Park Ave

                                                                                      Bronx Bronx, NY 10461