Devin Matthews
Devin Matthews
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Coupled-cluster techniques for computational chemistry: The CFOUR program package
DA Matthews, L Cheng, ME Harding, F Lipparini, S Stopkowicz, TC Jagau, ...
The Journal of Chemical Physics 152 (21), 214108, 2020
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
J Yang, W Hu, D Usvyat, D Matthews, M Schütz, GKL Chan
Science 345 (6197), 640-643, 2014
A massively parallel tensor contraction framework for coupled-cluster computations
E Solomonik, D Matthews, JR Hammond, JF Stanton, J Demmel
Journal of Parallel and Distributed Computing 74 (12), 3176-3190, 2014
Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches
HG Kjaergaard, AL Garden, GM Chaban, RB Gerber, DA Matthews, ...
The Journal of Physical Chemistry A 112 (18), 4324-4335, 2008
Cyclops tensor framework: Reducing communication and eliminating load imbalance in massively parallel contractions
E Solomonik, D Matthews, J Hammond, J Demmel
2013 IEEE 27th International Symposium on Parallel and Distributed …, 2013
High-Performance Tensor Contraction without Transposition
DA Matthews
SIAM Journal on Scientific Computing 40 (1), C1-C24, 2018
Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the and related approximations
J McClain, J Lischner, T Watson, DA Matthews, E Ronca, SG Louie, ...
Physical Review B 93 (23), 235139, 2016
Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis
TL Nguyen, H Lee, DA Matthews, MC McCarthy, JF Stanton
The Journal of Physical Chemistry A 119 (22), 5524-5533, 2015
A new approach to approximate equation-of-motion coupled cluster with triple excitations
DA Matthews, JF Stanton
The Journal of Chemical Physics 145 (12), 124102, 2016
Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations
DA Matthews, JF Stanton
The Journal of chemical physics 142 (6), 064108, 2015
Calculated stretching overtone levels and Darling–Dennison resonances in water: a triumph of simple theoretical approaches
DA Matthews, J Vázquez, JF Stanton
Molecular Physics 105 (19-22), 2659-2666, 2007
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core–Valence-Separated Equation-of-Motion Coupled-Cluster Methods
J Liu, D Matthews, S Coriani, L Cheng
Journal of chemical theory and computation 15 (3), 1642-1651, 2019
Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections
DA Matthews, JF Stanton
Molecular Physics 107 (3), 213-222, 2009
Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results
JZ Gong, DA Matthews, PB Changala, JF Stanton
The Journal of chemical physics 149 (11), 114102, 2018
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde
WJ Morgan, DA Matthews, M Ringholm, J Agarwal, JZ Gong, K Ruud, ...
Journal of chemical theory and computation 14 (3), 1333-1350, 2018
EOM-CC methods with approximate triple excitations applied to core excitation and ionisation energies
DA Matthews
Molecular Physics 118 (21-22), e1771448, 2020
Generating families of practical fast matrix multiplication algorithms
J Huang, L Rice, DA Matthews, RA van de Geijn
2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS …, 2017
Accuracy of coupled cluster excited state potential energy surfaces
A Tajti, JF Stanton, DA Matthews, PG Szalay
Journal of chemical theory and computation 14 (11), 5859-5869, 2018
Accelerating the convergence of higher-order coupled cluster methods
DA Matthews, JF Stanton
The Journal of chemical physics 143 (20), 204103, 2015
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
JP Carbone, L Cheng, RH Myhre, D Matthews, H Koch, S Coriani
Advances in Quantum Chemistry 79, 241-261, 2019
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