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
211 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
177 2008 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
143 2014 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
107 2013 Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the J McClain, J Lischner, T Watson, DA Matthews, E Ronca, SG Louie, ...
Physical Review B 93 (23), 235139, 2016
70 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
60 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
60 2007 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
55 2020 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
53 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
45 2016 High-Performance Tensor Contraction without Transposition DA Matthews
SIAM Journal on Scientific Computing 40 (1), C1-C24, 2018
44 2018 Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections DA Matthews, JF Stanton
Molecular Physics 107 (3), 213-222, 2009
43 2009 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
30 2019 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
29 2017 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
22 2018 Accelerating the convergence of higher-order coupled cluster methods DA Matthews, JF Stanton
The Journal of chemical physics 143 (20), 204103, 2015
20 2015 Communication: An accurate calculation of the S1 C2H2cis-trans isomerization barrier height JH Baraban, DA Matthews, JF Stanton
The Journal of chemical physics 144 (11), 111102, 2016
18 2016 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
17 2018 Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions JJ Eriksen, DA Matthews, P Jřrgensen, J Gauss
The Journal of chemical physics 144 (19), 194103, 2016
17 * 2016 Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions JJ Eriksen, DA Matthews, P Jřrgensen, J Gauss
The Journal of chemical physics 144 (19), 194102, 2016
17 2016 
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyEmail verificata su caltech.edu
