Devin Matthews

Professor Devin Matthews


Assistant Professor Office:  143 Fondren Science
Department of Chemistry  Phone:  (214) 768-1300
Southern Methodist University  Fax:  
PO Box 750314 e-mail: damatthews at smu dot edu
Dallas, TX 75275-0314    

[Research Group Site]

Education and Experience:

  • Assistant Professor, Southern Methodist University, 2018–
  • Postdoctoral Fellow, Institute for Computational Engineering and Sciences, UT Austin, 2014-2018
  • The University of Texas at Austin, Ph.D., 2010-2014
  • The University of Texas at Austin, B.S.Ch. with Honors, 2006-2010


  • Arnold O. Beckman Postdoctoral Fellowship, 2015-2018
  • Frederick A. Howes Scholar in Computational Science, 2015
  • DOE Computation Science Graduate Fellowship, 2010-2014
  • Beckman Scholar, 2008-2010

Research Interests:

Computational Chemistry, Quantum Mechanics, Computational Spectroscopy, Theory

The Matthews group focuses on using and developing accurate theoretical methods to study molecules, reactions, clusters, and extended systems. In particular, the emphasis is on ab initio (meaning "from thebeginning") methods based on quantum mechanics, combining concepts andtechniques from chemistry, physics, mathematics, and computer science. Specific active research areas include computational spectroscopy, especially in the X-ray region, computational techniques for tensor contraction and factorization, and development of new theoretical methods related to and inspired by the coupled cluster family of methods.


Selected Publications:
  1. W.J. Morgan, D.A Matthews, M. Ringholm, J. Agarwal, J.Z. Gong, K. Ruud, W.D. Allen, J.F. Stanton, H.F. Schaefer III, "Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde" J. Chem. Theory Comput. 14, 1333 (2018).

  2. D.A. Matthews, “High-performance tensor contraction without Transposition” SIAM J. Sci. Comput. 40, C1 (2018).

  3. D.A. Matthews, J.F. Stanton, “A new approach to approximate equation-of-motion coupled cluster with triple excitations” J. Chem. Phys. 145, 124102 (2016).

  4. J. McClain, J. Lischner, T. Watson, D.A. Matthews, E. Ronca, S.G. Louie, T.C. Berkelbach, G. K.-L. Chan, “Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations” Phys. Rev. B 93, 235139 (2016).

  5. D.A. Matthews, J.F. Stanton, “Accelerating the convergence of higher-order coupled cluster methods” J. Chem. Phys. 143, 204103 (2015).

  6. T.L. Nguyen, H. Lee, D.A. Matthews, M.C. McCarthy, J.F. Stanton, “Stabilization of the simplest Criegee intermediate from the reaction between ozone and ethylene: A high-level quantum chemical and kinetic analysis of ozonolysis” J. Phys. Chem. A 119, 5524 (2015).

  7. D.A. Matthews, J.F. Stanton, “Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations” J. Chem. Phys. 142, 064108 (2015).