| 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 | 559 | 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 | 293 | 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 | 241 | 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 | 208 | 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 | 155 | 2013 |
| High-Performance Tensor Contraction without Transposition DA Matthews SIAM Journal on Scientific Computing 40 (1), C1-C24, 2018 | 116 | 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 | 106 | 2016 |
| 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 | 103 | 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 | 96 | 2015 |
| 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 | 89 | 2015 |
| 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 | 84 | 2019 |
| 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 | 74 | 2007 |
| Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections DA Matthews, JF Stanton Molecular Physics 107 (3), 213-222, 2009 | 57 | 2009 |
| EOM-CC methods with approximate triple excitations applied to core excitation and ionisation energies DA Matthews Molecular Physics 118 (21-22), e1771448, 2020 | 53 | 2020 |
| 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 | 52 | 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 | 52 | 2018 |
| Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational … DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of Chemical Physics 155 (20), 204801, 2021 | 40 | 2021 |
| 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 | 39 | 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 | 33 | 2018 |
| Improved Grid Optimization and Fitting in Least Squares Tensor Hypercontraction DA Matthews Journal of Chemical Theory and Computation 16 (3), 1382-1385, 2020 | 30 | 2020 |
Cheng LanJohns Hopkins UniversityVerified email at jhu.edu