Marcel Nooijen

Marcel Nooijen
Professor
Location: PHY 2021
Phone: 519-888-4567 x37708

Biography

Marcel Nooijen carries out research in theoretical chemistry. His long-term goal is to develop accurate wave function based electronic structure methods that are applicable to general open-shell systems, in particular transition metal compounds. The electronic structure technique should be coupled to an efficient scheme to describe non-adiabatic nuclear dynamics such that one can make direct comparisons with experimental results. The ideal electronic structure methodology would be a local, multireference coupled cluster method, combined with an efficient explicit correlation (r12) technique, and including important relativistic effects. Nuclear dynamics would be based on vibronic model Hamiltonians obtained from a suitable diabatization of the electronic states.

Research Interests

  • Electronic Structure Theory
  • Vibronic coupling and non-adiabatic nuclear dynamics
  • Simulation of vibronic spectroscopy
  • Coupled Cluster Theory for excited states
  • Multireference methods in transition metal chemistry
  • Investigation of efficient representation Coulomb Interactions

Education

  • 1992 Doctorate Chemistry, Vrije Universiteit Amsterdam, Netherlands
  • 1987 Bachelor's equivalent Chemistry, Vrije Universiteit Amsterdam, Netherlands
  • 1985 Undergraduate, Technical University of Eindhoven, Netherlands

Awards

  • 2017 Tom Ziegler Award, Canadian Society for Chemistry
  • 2016 Elected as member of International Academy of Quantum Molecular Sciences
  • 2003 Medal of International Academy of Quantum Molecular Sciences

Service

  • Promotion and Tenure Committee, 2016-20
  • Chemistry Awards Committee, 2015-16
  • Arts Faculty Council, 2015-16
  • Science Faculty Council, 2010-12, 2014-15
  • Executive Committee, 2009-10, 2020-21
  • Associate editor for the International Journal of Quantum Chemistry, 2005-09

Professional Associations

  • Member, International Academy of Quantum Molecular Science, 2016-now

Teaching*

  • CHEM 254 - Introductory Chemical Thermodynamics
    • Taught in 2021, 2022
  • CHEM 350 - Chemical Kinetics
    • Taught in 2020
  • CHEM 356 - Introductory Quantum Mechanics
    • Taught in 2019
  • CHEM 400 - Special Topics in Chemistry
    • Taught in 2019, 2021, 2022, 2023
  • CHEM 740 - Selected Topics in Theoretical Chemistry
    • Taught in 2019, 2021, 2022, 2023
  • NE 332 - Quantum Mechanics
    • Taught in 2022

* Only courses taught in the past 5 years are displayed.

Selected/Recent Publications

  • M. H. Lechner R. Iszak M. Nooijen F. Neese. (2021). A perturbative approach to multireference equation of motion coupled cluster. Molecular Physics. 119: e1939185.
  • Nooijen, M. Bao, S. (2021). Normal ordered exponential approach to thermal properties and time correlation functions: General theory and simple examples. Molecular Physics. 119(20-21): e1980832.
  • Demel, O. Lecours, M.J. Habrovsky, R. Nooijen, M. (2021). Toward laplace MP2 method using range separated Coulomb potential and orbital selective virtual. Journal of Chemical Physics. 155(15): 154104.
  • Heldmaier, F. V. Coughing, N. J. Haack, A. Huard, R. Guna, M. Scheider, B. Nooijen, M. Hopkins, S. (2021). UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine. Physical Chemistry Chemical Physics. 23(35): 19892-19900.
  • View all Marcel Nooijen's publications on Google Scholar: https://scholar.google.com/citations?hl=en&user=yFqaGSsAAAAJ&view_op=list_works&sortby=pubdate

In The News

Graduate Studies