Theoretical and Computational Chemistry (TCC)

The Hernandez lab uses-and-develops theoretical & computational chemistry to characterize nature. Our techniques include classical and semiclassical transition state theory, molecular dynamics, coarse-grained models, dynamical consistency, adaptive steered molecular dynamics (ASMD), and machine learning. Our applications include sustainable nanotechnology, autonomous computing, energetic materials, reactions in nonequilibrium solutions, and protein structure-and-function.

Please go to my website at Johns Hopkins University to learn more about the research on complex dynamics in nonequilibrium chemical systems being advanced by all of the members of my research group.

Keynote Lectures

  • McGavock Lecture, Trinity University, San Antonio, TX, September 26, 2024 (Invited)
  • Distinguished Speaker, School of Science Interdisciplinary Research Colloquium, The College of New Jersey, Ewing Township, NJ, March 26, 2024
  • Keynote Lecture, Symposium on “The diversity / many flavors of chemistry,” YoungerChemists Committee, ACS National Meeting, New Orleans, March 18, 2024
  • Plenary Speaker, V International Congress of Dominican Society of Physics (SoDoFi), Punta Cana, DOMINICAN REPUBLIC, January 14-18, 2024
  • Inaugural Distinguished Speaker, Excellence in Research and Service to the Chemical Community Seminar Series, Rice University, Houston, TX, January 9-10, 2024
  • Skidmore Distinguished Scholar Lectures, Skidmore College, Saratoga Springs, NY,November 8-9, 2023.
  • Keynote Speaker, UC Chemistry Conference on Diversity, Equity and Inclusion, Santa Cruz, CA, April 15, 2023.
  • Keynote Speaker, NJIT DEI Colloquium, New Jersey Institute of Technology, Newark,NJ, April 5, 2023.
  • Luncheon Keynote, Committee on Minority Affairs, ACS National Meeting, March27, 2023.
  • Helen Murray Free Endowed Lecture, The College of Wooster, Wooster, OH, February 22-23, 2023.
  • Student-Invited Seminar, Iowa State University, Ames, IA, January 28, 2022
  • Signature Lecture, LSU College of Science Inclusive Excellence Series, Louisiana StateUniversity, Baton Rouge, LA, November 9-10, 2021
  • Keynote Lecture, SciaLog, RCSA, Virtual, October 7, 2021
  • Telluride Town Talk Panel, Telluride, CO, June 22, 2021
  • Eminent Scientist Lecture, Undergraduate Program, 259th ACS National Meeting,Philadelphia, PA, March 23, 2020 (Cancelled Covid19)
  • E. Davidson Lecture, University of North Texas, Denton, TX, March 5-6, 2020
  • Leallyn Burr Clapp Lecture, Brown University, Providence, RI, November 7, 2019
  • Keynote, Schaap Chemistry Symposium, Hope College, Holland, MI, July 11-12, 2019
  • ADSE Diversity Lecture, University of Rochester, Rochester, NY, May 2, 2019.
  • Keynote Lecture, University of Texas at El Paso, TX, March 7, 2019
  • Keynote Lecture, 9th Annual Spencer Symposium, Florida Southern College, Lakeland, FL, February 8, 2019
  • Keynote Lecture, 5th Young Researchers Conference, College Park, MD, September29, 2018
  • Plenary Lecture, 12th Annual Undergraduate Research Symposium in the Biological& Chemical Sciences, William Paterson University, Wayne, NJ, April 14, 2018
  • Leo and June Davis Frontiers Lecture, University of Iowa, Iowa City, March 29-30,2018
  • Distinguished Lecture, Middle Tennessee State University (MTSU) Murfreesboro, TN,March 1-2, 2018
  • Distinguished Lecture, Emory University, Atlanta, GA, January 25-26, 2018
  • Faces of Science Seminar, NU Building on Diversity (NU BonD), Northwestern Univer-sity, Evanston, IL, September 27, 2017
  • Diversity Lecture 4.0, University of Cincinnati, OH, September 22, 2017
  • Chem Connect Lecture, Duke University, Durham, NC, September 20, 2017
  • Herty Medal Award Lecture, Atlanta, GA, September 8, 2017
  • Telluride Town Talk, Telluride, CO, June 27, 2017
  • Castle Lecture, University of South Florida, Tampa, FL, March 25, 2017
  • NSF MPS/ODI Distinguished Lecture, National Science Foundation, Arlington, VA,April 25, 2016
  • Phi Beta Kappa Lecture, University of Oklahoma, Norman, OK, March 24-25, 2016
  • Phi Beta Kappa Lecture, Kansas State University, Manhattan, KS, March 21-22, 2016
  • Phi Beta Kappa Lecture, Johns Hopkins University, Baltimore, MD, March 3-4, 2016
  • Phi Beta Kappa Lecture, Hamilton College, Clinton, NY, Feb. 25-26, 2016
  • Phi Beta Kappa Lecture, Bucknell University, Lewisburg, PA, Feb. 22-23, 2016
  • Phi Beta Kappa Lecture, Willamette University, Portland, OR, Feb. 11-12, 2016
  • Phi Beta Kappa Lecture, College of St. Benedict, Collegeville, MN, Feb. 8-9, 2016
  • Phi Beta Kappa Lecture, University of The South, Sewanee, TN, Oct. 22-23, 2015.
  • Phi Beta Kappa Lecture, College of Wooster, Wooster, Ohio, Sept. 24-25, 2015.
  • “Encouraging Disadvantaged Students into Careers in the Chemical Sciences: Sympo-sium in Honor of Rigoberto Hernandez,” organized by Robert Lichter, Charles Liottaand Larry Dalton, 248th ACS Fall Meeting, San Francisco, CA, August 12, 2014.
  • Andreoli-Woods Lecture, California State University, Los Angeles, CA, June 6, 2014.
  • Telluride Town Talk, Telluride, CO, June 25, 2013
  • Greater Boston Area (GBA) Theoretical Chemistry Lecture, Boston University/MIT/Harvard, September 25, 2012
  • 5th Annual Chevy Goldstein Distinguished Lecture, California State Polytechnic University, Pomona, CA, May 4, 2012.
  • Closs Lecture, University of Chicago, Chicago, IL, October 18, 2011.
  • Frontiers in Chemical Physics & Analysis Seminar, Chemical & Materials Sciences,Pacific Northwest National Laboratory, Richland, WA, November 22, 2009.
  • Telluride Town Talk, Telluride, CO, June 23, 2009
  • Plenary Lecture, 29th Puerto Rico Interdisciplinary Scientific Meeting (PRISM 2009),R ́ıo Piedras, Puerto Rico, March 14, 2009.
  • Telluride Town Talk, Telluride, CO, July 27, 2000