D. Matthews

发表

Cyclops Tensor Framework: Reducing Communication and Eliminating Load Imbalance in Massively Parallel Contractions

James Demmel, Jeff R. Hammond, Edgar Solomonik, 2013, 2013 IEEE 27th International Symposium on Parallel and Distributed Processing.

Strassen ’ s Algorithm for Tensor Contraction FLAME Working Note # 84

D. Matthews, R. Geijn, Jianyu Huang, 2017 .

Improved Grid Optimization and Fitting in Least Squares Tensor Hypercontraction.

D. Matthews, 2019, Journal of chemical theory and computation.

Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations.

D. Matthews, 2020, Journal of chemical theory and computation.

An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

D. Matthews, H. Koch, S. Coriani, 2019, State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More.

Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods.

D. Matthews, S. Coriani, Lan Cheng, 2019, Journal of chemical theory and computation.

Convergence of coupled cluster perturbation theory.

J. Olsen, P. Jørgensen, D. Matthews, 2016, The Journal of chemical physics.

Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis.

D. Matthews, J. Stanton, Hyunwoo Lee, 2015, The journal of physical chemistry. A.

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

D. Matthews, Pierre-François Loos, F. Lipparini, 2022, Journal of chemical theory and computation.

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

D. Matthews, M. Simons, 2022, Molecular Physics.

Transition-potential coupled cluster.

D. Matthews, M. Simons, 2020, The Journal of chemical physics.

Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations

Timothy C. Berkelbach, S. Louie, D. Matthews, 2015, 1512.04556.

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

D. Matthews, 2020 .

Allostery in STAT3 Variant D170A is Mediated by a Rigid Core

D. Matthews, Nischal Karki, B. Zoltowski, 2022, bioRxiv.

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

D. Matthews, Nischal Karki, B. Zoltowski, 2022, PLoS Comput. Biol..

Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions.

D. Matthews, J. Stanton, J. M. Weber, 2015, The Journal of chemical physics.

Accuracy of Coupled Cluster Excited State Potential Energy Surfaces.

D. Matthews, J. Stanton, P. Szalay, 2018, Journal of chemical theory and computation.

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

Lan Cheng, Michael E Harding, Devin A Matthews, 2020, The Journal of chemical physics.

Calculated stretching overtone levels and Darling–Dennison resonances in water: a triumph of simple theoretical approaches

D. Matthews, J. Stanton, J. Vázquez, 2007 .

Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results.

P. B. Changala, Justin Z. Gong, D. Matthews, 2018, The Journal of chemical physics.

A new approach to approximate equation-of-motion coupled cluster with triple excitations.

D. Matthews, J. Stanton, 2016, The Journal of chemical physics.

Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy

D. Matthews, G. Chan, M. Schütz, 2014, Science.

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.

Justin Z. Gong, W. D. Allen, D. Matthews, 2018, Journal of chemical theory and computation.

A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation.

J. Olsen, P. Jørgensen, D. Matthews, 2015, The Journal of chemical physics.

Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions.

P. Jørgensen, D. Matthews, J. J. Eriksen, 2015, The Journal of chemical physics.

Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions.

P. Jørgensen, D. Matthews, J. J. Eriksen, 2015, The Journal of chemical physics.

Communication: The performance of non-iterative coupled cluster quadruples models.

P. Jørgensen, D. Matthews, J. J. Eriksen, 2015, The Journal of chemical physics.

Accelerating the convergence of higher-order coupled cluster methods.

D. Matthews, J. Stanton, 2015, The Journal of chemical physics.

Open-shell Tensor Hypercontraction

D. Matthews, M. Simons, Tingting Zhao, 2023, 2304.04040.

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

D. Matthews, Lan Cheng, Junzi Liu, 2022, Journal of chemical theory and computation.

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

D. Matthews, 2020, The Journal of chemical physics.

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

D. Matthews, F. Lipparini, D. Jacquemin, 2022, Journal of chemical theory and computation.

How accurate are EOM-CC4 vertical excitation energies?

D. Matthews, F. Lipparini, D. Jacquemin, 2021, The Journal of chemical physics.

A massively parallel tensor contraction framework for coupled-cluster computations

John F. Stanton, James Demmel, Jeff R. Hammond, 2014, J. Parallel Distributed Comput..

Diagrams in coupled-cluster theory: Algebraic derivation of a new diagrammatic method for closed shells

D. Matthews, J. Stanton, 2019, Mathematical Physics in Theoretical Chemistry.

Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations.

John F. Stanton, Devin A. Matthews, D. Matthews, 2015, The Journal of chemical physics.

DxTer: An Extensible Tool for Optimal Dataﬂow Program Generation

Martin D. Schatz, Isil Dillig, Don Batory, 2015 .

Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory.

Jürgen Gauss, Devin A Matthews, John F Stanton, 2013, Journal of chemical theory and computation.

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

D. Matthews, E. Kraka, Daniel Sethio, 2021 .

Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches.

Devin A Matthews, John F Stanton, Henrik G Kjaergaard, 2008, The journal of physical chemistry. A.

Gas-phase infrared spectrum of methyl nitrate

D. Matthews, J. Stanton, G. Ellison, 2008 .

Transition moments for STEOM-CCSD with core triples

D. Matthews, M. Simons, 2023, 2304.06583.

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

D. Matthews, Avdhoot Datar, Saisrinivas Gudivada, 2023, The journal of physical chemistry. A.

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

D. Matthews, Avdhoot Datar, Catherine Wright, 2022, The journal of physical chemistry. A.

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

D. Matthews, M. Simons, 2022, Journal of chemical theory and computation.

Accurate core-excited states via inclusion of core triple excitations in similarity-transformed EOM theory

D. Matthews, M. Simons, 2022, 2203.09491.

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Zachary L Glick, Andrew C. Simmonett, Levi N. Naden, 2021, The Journal of chemical physics.

On extending and optimising the direct product decomposition

D. Matthews, 2018, Molecular Physics.

High-Performance Tensor Contraction without Transposition

Devin A. Matthews, D. Matthews, 2016, SIAM J. Sci. Comput..

Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height.

D. Matthews, J. Stanton, J. Baraban, 2016, The Journal of chemical physics.

Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections

D. Matthews, J. Stanton, 2009 .

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

D. Matthews, 2020, 2003.03455.

Strassen's Algorithm for Tensor Contraction

Robert A. van de Geijn, Jianyu Huang, Devin A. Matthews, 2017, SIAM J. Sci. Comput..

High-Performance Tensor Contraction without BLAS pdf

Devin Matthews, D. Matthews, 2016, ArXiv.

Open-shell Tensor Hypercontraction

D. Matthews, M. Simons, Tingting Zhao, 2023, 2304.04040.

Generating Families of Practical Fast Matrix Multiplication Algorithms

Robert A. van de Geijn, Jianyu Huang, Devin A. Matthews, 2016, 2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS).

Spin Summations

Paolo Bientinesi, Paul Springer, Devin Matthews, 2017, ACM Trans. Math. Softw..

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

D. Matthews, Tingting Zhao, 2024, Journal of chemical theory and computation.