Marcel Nooijen

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.

• 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

• Devices and Analytical Methods

• 1992, PhD, Chemistry, Vrije Universiteit Amsterdam, Netherlands

• 1987, Bachelor's equivalent Chemistry, Vrije Universiteit Amsterdam, Netherlands

• 1985, Undergraduate, Technical University of Eindhoven, Netherlands

• 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

• 2020-2021 and 2009-2010, Executive Committee

• 2016-2020, Promotion and Tenure Committee

• 2015-2016, Chemistry Awards Committee

• 2015-2016, Arts Faculty Council

• 2014-2015 and 2010-2012, Science Faculty Council

• 2005-2009, Associate editor for the International Journal of Quantum Chemistry

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

• CHEM 254 - Introductory Chemical Thermodynamics
  • Taught in 2021, 2022, 2023
• CHEM 350 - Chemical Kinetics
  • Taught in 2020
• CHEM 356 - Introductory Quantum Mechanics
  • Taught in 2024, 2025
• CHEM 400 - Special Topics in Chemistry
  • Taught in 2021, 2022, 2023, 2024, 2025
• CHEM 740 - Selected Topics in Theoretical Chemistry
  • Taught in 2021, 2022, 2023, 2024, 2025
• NE 332 - Quantum Mechanics
  • Taught in 2022, 2023, 2024

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

• View all Marcel Nooijen's publications on Google Scholar.

• 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.