Contact Information

Biography

Jeffrey D. Evanseck received B.S. degrees in computer science and chemistry from Purdue University (1986) and published his first J. Am. Chem. Soc. manuscript as an undergraduate researcher on the SN2 mechanism with Professor W. L. Jorgensen. He received a Ph.D. (1990) degree working with K. N. Houk at UCLA in the field of computational and theoretical organic chemistry. He applied his knowledge of organic chemistry to biophysical systems, when he became a postdoctoral fellow at Harvard University working with M. Karplus to study the visualization, dynamics, and catalysis of important enzymes. In 1994, he joined the faculty at University of Miami, and was the Chair of the South Florida Section of the ACS (1996-1999), recipient of the ACS Young Researcher Award in 1995, and earned the University Excellence in Teaching Award in 1999.

He moved to Duquesne University in 2000 as the Director of the Center for Computational Sciences at Duquesne University to promote education, research, and small business growth in Southwest Pennsylvania. He was the Secretary (2001-2004) and Chair (2004-2007) of the Computers in Chemistry (COMP) Division of the ACS. He was promoted to full Professor in 2004, and was honored as the first endowed Professor of the School of Science and Engineering as the Fr. Joseph Lauritis Chair in Teaching and Technology for his scientific distinctions in chemical theory, computation, and education.

He has been a principal driving force in the vision, design and support of the successful summer undergraduate research program at Duquesne, by establishing a dynamic and novel NSF Research Experiences for Undergraduate (REU) site that involves regional faculty and student teams that has served over 300 students and 20 faculty members over the last decade. In 2010, he became the Chair of the NSF Chemistry REU Leadership Group to create meaningful dialog and feedback between the NSF and active principal investigators of REU Sites. In the same year, he became the Chair of the ACS Advisory Board for Society of Education (SOCED) for the 2013 ACS New Orleans national meeting of undergraduate programming. In 2008, he took on the role of Faculty Mentor of the ACS Student Members Chapter and has elevated the Chapter for an award every year, accentuating their achievements with the Outstanding Award from the ACS from 2012 to 2014. Importantly, he has continued Theodore Weismann's vision with the Pittsburgh's local section of the ACS in creating a regional ACS Meeting held every spring, which has dramatically increased the participation of students and regional faculty. His efforts have cumulated in being selected as a 2012 ACS Fellow, 2013 ACS Ambassador, and 2013 Duquesne University Advisor of the Year Center for Student Involvement.

At Duquesne, he was been recognized for his impact upon the teaching environment with the University recognition of "Teacher of the Year" from the Omicron Delta Kappa National Leadership Honor Society in 2011, and 2013 University Creative Teaching Award Center for Teaching Excellence. To complement his teaching and research efforts, he was awarded the President's Award for Excellence in Service to the Mission in 2011 from Duquesne University and induction into the University's Scholarship Hall of Fame Office of Research in 2013. In recognition of his impact upon undergraduate excellence at Duquesne, he became the John V. Crable Chair in 2013.

Professor Evanseck is an authority on theoretical organic and biophysical chemistry. He is the author of over 50 publications that have engendered more than 6,000 citations. He has graduated nine extremely successful Ph.D. students, and nineteen honors undergraduates that have defended and published their undergraduate honors theses. Specifically, his group is involved in developments of rules and theory to understand chemical reactivity and the computer modeling of complex (bio)organic reactions.

Education

  • B.S., Purdue University
  • Ph.D., UCLA
  • Post-Doctoral Fellow, Harvard University

Research Interests or Expertise

Our research program is driven by significant problems in organic, biochemistry, and physical chemistry. Our research in chemical theory and computation is fully integrated in strong collaboration with successful experimental chemists. We have a full range on interests, starting with the development of fundamental ideas on the theory of chemical bonding, and how this information can be used to understand the fundamentals of Lewis acidity and basicity, organic reaction catalysis, organometallic structures, and the bonding and reactions at surfaces. In the field of biochemistry, we investigate the energetics and mechanisms of phosphoryl transfer reactions, and design new antimicrobial agents to light the increasing risk of drug resistant bacterial fungal infections.

Complete description of Evanseck's Research Group (ERG)

School

I strive to influence how students learn, enable them to reach their greatest potential, instill scientific curiosity and pride, and endow them with a rigorous theoretical foundation that prepares them for careers in chemistry. However, the age-old problem of being an effective teacher is easier said than done!

As a professor at a research university, I impact students in the classroom differently than those from my research laboratory. I specifically prepare my research students for Ph.D. studies and post-doctoral experiences, where impact may be measured by the 9 Ph.D. dissertations and 16 honors theses defended under my direction. Ultimately, these students have become university professors, industrial chemists, university staff, high school teachers and consultants. All have won prestigious awards, two have won the distinction of graduation commencement speakers, and three have won nationally competitive Goldwater scholarships.

I found that effective teaching begins with evidence-based investigations into the mechanisms and conditions on how students learn. Learning is not something done to students, but rather something students do. Consequently, I have created a commonsense, flexible and practical approach for teaching that empowers students to learn. I build upon the realization that students begin with a diverse range of skills, knowledge, abilities, and emotional experiences. Four interrelated efforts result in a unique learning experience.

  • Instill the necessary study skills and habits for meaningful learning, behavior, and academic success by implementing a novel every-day, performance-feedback assessment model.
  • Enrich student learning, motivation and confidence by using "story telling" to make long-term associations between complex concepts and the stories behind scientific discoveries.
  • Create a novel cooperative learning strategy between high and low achievers to improve the academic performance for all constituents involved.
  • Develop the student's ability to think critically by using reflection journals, so that they arrive at properly grounded conclusions through inquiry and reasoning.

Duquesne University

  • Professor: Duquesne University, Chemistry and Biochemistry Department, 600 Forbes Avenue, Pittsburgh, PA 15282 (8/05 to present)
  • Associate Professor: Duquesne University, Chemistry and Biochemistry Department, 600 Forbes Avenue, Pittsburgh, PA 15282 (7/00 to 7/05)
  • John V. Crable Chair in Undergraduate Research in Chemistry and Biochemistry, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282 (8/13 to present)
  • Lambert F. Minucci Endowed Chair in Engineering and Computational Sciences (8/17 to present)
  • Fr. Joseph Lauritis, C. S. Sp. Chair in Teaching and Technology, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282 (8/05 to 8/10)
  • Visiting Associate, California Institute of Technology, Laboratory for Molecular Sciences and Center for Ultrafast Science and Technology, M/C 127-72, Pasadena, CA 91125 (8/07-8/08)
  • Director of Undergraduate Affairs, Department of Chemistry and Biochemistry, Duquesne, University, Pittsburgh, PA, 15282 (8/13 to present)
  • Director of Departmental Affairs, Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA, 15282 (8/03 to 8/06)
  • Chair of Graduate Admissions and Recruitment, Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA, 15282 (8/00 to 8/02 and 8/11 to 8/13)
  • Director of the Center for Computational Sciences (CCS), Duquesne University, Pittsburgh, PA, 15282 (8/00 to Present)
  • Fr. Joseph Lauritis Chair in Teaching and Technology, Duquesne University, Pittsburgh, PA, 15282 (2005 to 2010)
  • Chair of the University Electronic Thesis and Dissertation Committee (ETD), Duquesne University, Pittsburgh, PA, 15282 (8/06 to 8/08)
  • Co-Chair of the University Educational Technology Committee (ETC), Duquesne University, Pittsburgh, PA, 15282 (8/04 to 8/08)
  • Super Computing Science Consortium (SC)2 Representative, Duquesne University, Pittsburgh, PA, 15282 (8/02 to 8/08)
  • Pittsburgh Carnegie Science Center, SciTech Board of Directors, Duquesne University, Pittsburgh, PA (2002-2003)

American Chemical Society (ACS)

  • ACS Task Force (Advisory Board) Member of Society on Education for Undergraduate Programming, Washington D.C. (1/11 to Present)
  • ACS Chair of Undergraduate Programming of the 245th ACS National Meeting and Exposition April 7-11, 2013 New Orleans, Louisiana (4/13)
  • ACS Student Member (Affiliates) Chapter Faculty Mentor, Duquesne University, Pittsburgh, PA, 15282 (1/08 to Present)
  • ACS Presidential Commission on Advancing Graduate Education in the Chemical Sciences, Working Group Member, Washington D.C. (2/12 to 1/13)
  • ACS Chair-Elect, Computers in Chemistry Division: Three-year position, Duquesne University, Pittsburgh, PA, 15282 (1/05 to 1/08)
  • ACS Secretary-Elect, Computers in Chemistry Division: Three-year position, Duquesne University, Pittsburgh, PA, 15282 (1/02 to 1/05)
  • ACS Chair-Elect, South Florida Local Section: Three year position, University of Miami, Coral Gables, FL 33146 (8/97 to 8/00)
  • ACS Symposium Organizer: 2003 New York ACS Division of Computers in Chemistry, Symposium on "Frontiers of DNA Research: An interdisciplinary Study." (8/03)
  • ACS Chair-Elect, South Florida Section: Three year position, University of Miami, Coral Gables, FL 33146 (8/97 to 8/00)
  • ACS Symposium Organizer: 2003 New York ACS Division of Computers in Chemistry, Symposium on "Frontiers of DNA Research: An interdisciplinary Study." (8/03)
  • ACS Symposium Organizer: 1999 South Florida Local ACS, Symposium on "The Future of Chemical Education." (1/99)
  • ACS Symposium Organizer: 1996 Orlando ACS Division of Physical Chemistry, Symposium on "Elucidation of Organic Reaction Mechanism by Theoretical Methods." (8/96)

National Science Foundation (NSF)

  • NSF Chair-Elect, Leadership Group (LG): Three-year position, Washington D.C. (1/09 to Present)
  • NSF LG Planning and Assessment Committee for the 2009, 2012, and 2015 "Research Experience for Undergraduates (REU) Principal Investigator Workshops," San Antonio, TX (7/09, 7/12, and 7/15)
  1. “Single Mutation Dynamics and Entropy in Delta SARS-CoV-2 s2m” Joseph A. Makowski, Adam H. Kensinger, Caylee L. Cunningham, Caleb J. Frye, Morgan Shine, Patrick E. Lackey, Mihaela-Rita Mihailescu, and Jeffrey D. Evanseck ACS Phys. Chem Au 2023, Publication Date: May 17, 2023 https://doi.org/10.1021/acsphyschemau.3c00008 
  2. “Parameterization of the miniPEG-modified γPNA backbone: Induced γPNA duplex dissociation"
    Tamez, Angel; Nilsson, Lennart; Mihailescu, Mihaela Rita; Evanseck, Jeffrey J. Chem. Theory Comput. 2023, 19, 11, 3346–3358. https://doi.org/10.1021/acs.jctc.2c01163 
  3. “Structural, Dynamical, and Entropic Differences Between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations Adam H. Kensinger, Joseph A. Makowski, Kendy A. Pellegrene, Joshua A. Imperatore, Caylee L. Cunning-ham, Caleb J. Frye, Patrick E. Lackey, Mihaela-Rita Mihailescu, and Jeffrey D. Evanseck. ACS Phys. Chem Au 2023, 3, 1, 30–43, https://doi.org/10.1021/acsphyschemau.2c00032 
  4. “Bioinformatics Analysis of the s2m Mutations within the SARS-CoV-2 Omicron Lineages” Caleb J. Frye, Morgan Shine, Joseph A. Makowski, Adam H. Kensinger, Caylee L. Cunningham, Ella J. Milback, Jeffrey D. Evanseck, Patrick E. Lackey, Mihaela Rita Mihailescu. Journal of Medical Virology 2023, Volume 95, Issue 1, January 2023 e28141 https://doi.org/10.1002/jmv.28141 
  5.  “The Scientific Method as a Scaffold to Enhance Communication Skills in Chemistry” Thomas D. Montgomery, Joanne R. Buchbinder, Ellen S. Gawalt, Robbie J. Iuliucci, Andrew S. Koch, Evangelia Kotsikorou, Patrick Lackey, Min Soo Lim, Jeffrey J. Rohde, Alexander J. Rupprecht, Matthew N. Srnec, Brandon Vernier, and Jeffrey D. Evanseck (2022). J. Chem. Educ. 2022, 99, 2338−2350. DOI: https://doi.org/10.1021/acs.jchemed.2c00113 
  6. “Highly conserved s2m element of SARS-CoV-2 dimerizes via a kissing complex and interacts with host miRNA-1307-3p” Joshua A Imperatore, Caylee L Cunningham, Kendy A Pellegrene, Robert G Brinson, John P Marino, Jeffrey D Evanseck, Mihaela Rita Mihailescu Nucleic Acids Res. 2022 Jan 25;50(2):1017-1032. DOI: 10.1093/nar/gkab1226. 
  7. “Multi-Ion Bridged Pathway of N-Oxides to 1,3-Dipole Dilithium Oxide Complexes” Martin J. Neal, Sarah L. Hejnosz, Jeffrey J. Rohde, Jeffrey D. Evanseck, and Thomas D. Montgomery J. Org. Chem. 2021, 86(17), 11502-11518. DOI: 10.1021/acs.joc.1c01047