51°µÍø

• Assistant Professor, 51°µÍø, 2018–present
• Postdoctoral Fellow, Institute for Computational Engineering and Sciences, UT Austin, 2014-2018

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 the beginning") methods based on quantum mechanics, combining concepts and techniques 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).