Devin Matthews

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Assistant Professor

Southern Methodist University

United States

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Devin Matthews is an Assistant Professor at Southern Methodist University in the United States. His research focuses on advancing coupled-cluster theory and its applications in computational chemistry, with recent publications addressing topics such as electron correlation, thermochemistry, and the optimization of computational accuracy. He is particularly interested in hybrid basis set schemes and the potential of auxiliary field quantum Monte Carlo methods.

Recent Grants

Grant: Open

CAREER: Tensor Factorization Methods for High-Level Electronic Structure Theory

Open Date: 2022-02-01

Close Date: 2027-01-01

Grant: Close

MRI: Acquisition of a Confocal Micro-Raman Spectrometer

Open Date: 2021-08-01

Close Date: 2024-07-31

Grant: Close

Collaborative Research: Frameworks: Beyond the BLAS: A Framework for Accelerating Computational and Data Science

Open Date: 2020-05-01

Close Date: 2023-04-01

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Collaborators (7)

Stella Stopkowicz

Professor for Physical and Theoretical Chemistry

Saarland University

GERMANY

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Fang Liu

Assistant Professor

Emory University

UNITED STATES

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Theresa Windus

Iowa State University

UNITED STATES

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Pierre-François Loos

Université de Toulouse

FRANCE

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Asem Alenaizan

SAUDI ARABIA

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Péter G. Szalay

professor of chemistry

Eötvös Loránd University

HUNGARY

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Rollin King

Professor

UNITED STATES

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Devin Matthews

Research Interests

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About

Recent Grants

Articles (28)

On the functional dependence of transition-potential coupled cluster

Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy

Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo

Spatial Signatures of Electron Correlation in Least-Squares Tensor Hypercontraction

Enhancing the accuracy of XPS calculations: Exploring hybrid basis set schemes for CVS-EOMIP-CCSD calculations

Robust Tensor Hypercontraction of the Particle–Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory

Prospects for rank-reduced CCSD(T) in the context of high-accuracy thermochemistry

Factorized Quadruples and a Predictor of Higher-Level Correlation in Thermochemistry

Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations

Ab Initio Investigation of Intramolecular Charge Transfer States in DMABN by Calculation of Excited State X-ray Absorption Spectra

Open-Shell Tensor Hypercontraction

Theoretical Investigation of the X-ray Stark Effect in Small Molecules

Transition Moments for STEOM-CCSD with Core Triples

Transition-potential coupled cluster II: optimisation of the core orbital occupation number

A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4

Accurate Core-Excited States via Inclusion of Core Triple Excitations in Similarity-Transformed Equation-of-Motion Theory

Allosteric regulation in STAT3 interdomains is mediated by a rigid core: SH2 domain regulation by CCD in D170A variant

Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version

Substituted hydrocarbon: a CCSD(T) and local vibrational mode investigation

Transition-potential coupled cluster

A critical analysis of least-squares tensor hypercontraction applied to MP3

How accurate are EOM-CC4 vertical excitation energies?

Introduction to the John Stanton special issue

Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs

Coupled-cluster techniques for computational chemistry: The CFOUR program package

Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations

Accelerating the convergence of higher-order coupled-cluster methods II: coupled-cluster Λ equations and dynamic damping

EOM-CC methods with approximate triple excitations applied to core excitation and ionisation energies

Collaborators (7)

Stella Stopkowicz

Fang Liu

Theresa Windus

Pierre-François Loos

Asem Alenaizan

Péter G. Szalay

Rollin King

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