pilipiliÂþ»­

 

Ryan MacDonell

Assistant Professor

MacDonell_2022_0Z5A3161


Email: rymac@dal.ca
Mailing Address: 
Rm. 535
Department of Chemistry
pilipiliÂþ»­
6243 Alumni Crescent
P.O. Box 15000
Halifax NS B3H 4R2
 
Research Topics:
  • Theoretical chemistry
  • Quantum chemistry
  • Photochemistry
  • Quantum computing
  • Nonadiabatic dynamics
  • Physical chemistry
  • Spectroscopy

Education:

  • BSc, Carleton University
  • PhD, University of Ottawa/National Research Council Canada
  • PDRA, University of Sydney

Ìý

Research interests:

Our research group is focused on gaining a better theoretical understanding of the fundamentals of photochemistry. We develop classical and quantum computing techniques to simulate and predict photochemical reactions. In particular, we study internal conversion and nonadiabatic dynamics, which allow a molecule to undergo non-radiative transitions between electronic states by transferring energy to molecular vibrations. Our research has potential applications in light harvesting, energy conversion, and synthesis.

Awards:

  • 2022 Miller Prize (International Symposium on Molecular Spectroscopy)

Selected publications

  • MacDonell, R.J.; Dickerson, C.E.; Birch, C.J.T.; Kumar, A.; Edmunds, C.L.; Biercuk, M.J.; Hempel, C.; Kassal, I. "Analog quantum simulation of chemical dynamics." Chem. Sci. 2021, 12, 9794-9805.
  • MacDonell, R.J.; Navickas, T.; Wohlers-Reichel, T.F.; Valahu, C.H.; Rao, A.D.; Millican, M.J.; Currington, M.A.; Biercuk, M.J.; Tan, T.R.; Hempel, C.; Kassal, I. "Predicting molecular vibronic spectra using time-domain analog quantum simulation." Chem. Sci. 2023, 14, 9439-9451.
  • Valahu, C.H.; Olaya-Agudelo, V.C.; MacDonell, R.J.; Navickas, T.; Rao, A.D.; Millican, M.J.; Pérez-Sánchez, J.B.; Yuen-Zhou, J.; Biercuk, M.J.; Hempel, C.; Tan, T.R.; Kassal, I. "Direct observation of geometric-phase interference in dynamics around a conical intersection." Nat. Chem. 2023, 15, 1503-1508.
  • MacDonell, R.J.; Patchkovskii, S.; Schuurman, M.S. "A comparison of partial atomic charges for electronically excited states." J. Chem. Theory Comput. 2022, 18, 1061-1071.
  • MacDonell, R.J.; Schalk, O.; Geng, T.; Thomas, R.D.; Feifel, R.; Hansson, T.; Schuurman, M.S. "Excited state dynamics of acrylonitrile: Substituent effects at conical intersection interrogated via time-resolved photoelectron spectroscopy and ab initio simulation." J. Chem. Phys. 2016, 145, 114306.