Kokkos 3: Programming model extensions for the exascale era CR Trott, D Lebrun-Grandié, D Arndt, J Ciesko, V Dang, N Ellingwood, ... IEEE Transactions on Parallel and Distributed Systems 33 (4), 805-817, 2021 | 319 | 2021 |
ASC ATDM level 2 milestone #5325: asynchronous many-task runtime system analysis and assessment for next generation platforms J Bennett, R Clay, G Baker, M Gamell, DS Hollman, S Knight, H Kolla, ... SAND2015-8312, 2015 | 44* | 2015 |
Semi-exact concentric atomic density fitting: Reduced cost and increased accuracy compared to standard density fitting DS Hollman, HF Schaefer, EF Valeev The Journal of Chemical Physics 140 (6), 064109, 2014 | 44 | 2014 |
Workflows are the new applications: Challenges in performance, portability, and productivity T Ben-Nun, T Gamblin, DS Hollman, H Krishnan, CJ Newburn 2020 IEEE/ACM International Workshop on Performance, Portability and …, 2020 | 43 | 2020 |
The benzene + OH potential energy surface: intermediates and transition states DS Hollman, AC Simmonett, HF Schaefer Physical Chemistry Chemical Physics 13 (6), 2214-2221, 2011 | 41 | 2011 |
In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues DS Hollman, HF Schaefer III The Journal of Chemical Physics 136 (8), 084302, 2012 | 39 | 2012 |
A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions DS Hollman, HF Schaefer, EF Valeev The Journal of chemical physics 142 (15), 2015 | 27 | 2015 |
Towards asynchronous many-task in situ data analysis using legion P Pebay, JC Bennett, DS Hollman, S Treichler, PS McCormick, ... 2016 IEEE International Parallel and Distributed Processing Symposium …, 2016 | 20 | 2016 |
mdspan in C++: A Case Study in the Integration of Performance Portable Features into International Language Standards DS Hollman, B Lelbach, HC Edwards, M Hoemmen, D Sunderland, ... 2019 IEEE/ACM International Workshop on Performance, Portability and …, 2019 | 16 | 2019 |
Explicitly correlated atomic orbital basis second order Møller–Plesset theory DS Hollman, JJ Wilke, HF Schaefer The Journal of Chemical Physics 138 (6), 064107, 2013 | 16 | 2013 |
Fast construction of the exchange operator in an atom-centred basis with concentric atomic density fitting DS Hollman, HF Schaefer, EF Valeev Molecular Physics 115 (17-18), 2065-2076, 2017 | 14 | 2017 |
A Unified Executors Proposal for C++ J Hoberock, M Garland, C Kohlhoff, C Mysen, C Edwards, G Brown, ... P0443R10, 2019 | 11 | 2019 |
From strong van der Waals complexes to hydrogen bonding: From CO⋯ H2O to CS⋯ H2O and SiO⋯ H2O complexes Y Zhang, DS Hollman, HF Schaeffer III The Journal of Chemical Physics 136 (24), 244305, 2012 | 9 | 2012 |
Metaprogramming-enabled parallel execution of apparently sequential C++ code DS Hollman, JC Bennett, H Kolla, J Lifflander, N Slattengren, J Wilke 2016 Second International Workshop on Extreme Scale Programming Models and …, 2016 | 8 | 2016 |
The DARMA approach to asynchronous many-task programming JC Bennett, J Wilke, DS Hollman, N Slattengren, H Kolla, F Rizzi, ... ECP Review, 2016 | 7* | 2016 |
Kokkos 3: Programming Model Extensions for the Exascale Era, IEEE T. Parall. Distr., 33, 805–817 CR Trott, D Lebrun-Grandié, D Arndt, J Ciesko, V Dang, N Ellingwood, ... | 6 | 2022 |
Tetragermacyclobutadiene: energetically disfavored with respect to its structural isomers JW Mullinax, DS Hollman, HF Schaefer III Chemistry–A European Journal 19 (23), 7487-7495, 2013 | 6 | 2013 |
P1673r3: A free function linear algebra interface based on the blas M Hoemmen, D Hollman, C Trott, D Sunderland, N Liber, LT Lo, ... standard P1673R3 4, 2021, 2021 | 5 | 2021 |
P0443: A Unified Executors Proposal for C++ J Hoberock, M Garland, C Kohlhoff, C Mysen, C Edwards, G Brown, ... Technical report, International Organization for Standardization, 2020 | 5 | 2020 |
Making OpenMP ready for C++ executors TRW Scogland, D Sunderland, SL Olivier, DS Hollman, N Evans, ... International Workshop on OpenMP, 320-332, 2019 | 5 | 2019 |