LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ... Computer Physics Communications 271, 108171, 2022 | 5200 | 2022 |
Kokkos: Enabling manycore performance portability through polymorphic memory access patterns HC Edwards, CR Trott, D Sunderland Journal of Parallel and Distributed Computing 74 (12), 3202-3216, 2014 | 1169 | 2014 |
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials AP Thompson, LP Swiler, CR Trott, SM Foiles, GJ Tucker Journal of Computational Physics 285, 316-330, 2015 | 1002 | 2015 |
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 | 317 | 2021 |
Kokkos: Enabling performance portability across manycore architectures HC Edwards, CR Trott 2013 Extreme Scaling Workshop (xsw 2013), 18-24, 2013 | 158 | 2013 |
The development of Mellanox/NVIDIA GPUDirect over InfiniBand—a new model for GPU to GPU communications G Shainer, A Ayoub, P Lui, T Liu, M Kagan, CR Trott, G Scantlen, ... Computer Science-Research and Development 26 (3-4), 267-273, 2011 | 99 | 2011 |
The Kokkos ecosystem: Comprehensive performance portability for high performance computing C Trott, L Berger-Vergiat, D Poliakoff, S Rajamanickam, ... Computing in Science & Engineering 23 (5), 10-18, 2021 | 71 | 2021 |
Multithreaded sparse matrix-matrix multiplication for many-core and GPU architectures M Deveci, C Trott, S Rajamanickam Parallel Computing 78, 33-46, 2018 | 68 | 2018 |
Mixed Barrier Model for the Mixed Glass Former Effect in Ion Conducting Glasses M Schuch, CR Müller, P Maass, SW Martin Physical review letters 102 (14), 145902, 2009 | 65 | 2009 |
Performance-Portable Sparse Matrix-Matrix Multiplication for Many-Core Architectures M Deveci, C Trott, S Rajamanickam Parallel and Distributed Processing Symposium Workshops (IPDPSW), 2017 IEEE …, 2017 | 63 | 2017 |
Comparison of ion sites and diffusion paths in glasses obtained by molecular dynamics simulations and bond valence analysis C Müller, E Zienicke, S Adams, J Habasaki, P Maass Physical Review B 75 (1), 014203, 2007 | 49 | 2007 |
Network forming units in alkali borate and borophosphate glasses and the mixed glass former effect M Schuch, C Trott, P Maass RSC Advances 1 (7), 1370-1382, 2011 | 43 | 2011 |
Investigation of the structures of sodium borophosphate glasses by reverse Monte Carlo modeling to examine the origins of the mixed glass former effect M Schuch, R Christensen, C Trott, P Maass, SW Martin The Journal of Physical Chemistry C 116 (1), 1503-1511, 2012 | 38 | 2012 |
Kokkos Kernels: Performance Portable Sparse/Dense Linear Algebra and Graph Kernels S Rajamanickam, S Acer, L Berger-Vergiat, V Dang, N Ellingwood, ... arXiv preprint arXiv:2103.11991, 2021 | 37 | 2021 |
SNAP: Strong scaling high fidelity molecular dynamics simulations on leadership-class computing platforms CR Trott, SD Hammond, AP Thompson Supercomputing: 29th International Conference, ISC 2014, Leipzig, Germany …, 2014 | 34 | 2014 |
Performance portability of a wilson dslash stencil operator mini-app using kokkos and SYCL B Joó, T Kurth, MA Clark, J Kim, CR Trott, D Ibanez, D Sunderland, ... 2019 IEEE/ACM International Workshop on Performance, Portability and …, 2019 | 26 | 2019 |
General-purpose molecular dynamics simulations on GPU-based clusters CR Trott, L Winterfeld, PS Crozier arXiv preprint arXiv:1009.4330, 2010 | 25 | 2010 |
Reverse Monte Carlo modeling of ion conducting network glasses: An evaluation based on molecular dynamics simulations CR Müller, V Kathriarachchi, M Schuch, P Maass, VG Petkov Physical Chemistry Chemical Physics 12 (35), 10444-10451, 2010 | 25 | 2010 |
LAMMPSCUDA-a new GPU accelerated Molecular Dynamics Simulations Package and its Application to Ion-Conducting Glasses CR Trott Technische Universität Ilmenau, 2011 | 19 | 2011 |
mdspan in c++: A case study in the integration of performance portable features into international language standards DS Hollman, BA Lelbach, HC Edwards, M Hoemmen, D Sunderland, ... 2019 IEEE/ACM International Workshop on Performance, Portability and …, 2019 | 16 | 2019 |