Publications

Mitchell, J.A., Abdeljawad, F., Battaile, C.C., Garcia-Cardona, C., Holm, E.A., Homer, E.R., Madison, J., Rodgers, T.M., Thompson, A.P., Tikare, V., Webb, E., Plimpton, S.J., & Plimpton, S.J. (2023). Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing. Modelling and Simulation in Materials Science and Engineering, 31(5). https://doi.org/10.1088/1361-651x/accc4b

Moore, S.G., Plimpton, S.J., & Plimpton, S.J. (2022). State of the SPARTA DSMC Code [Conference Presenation]. 10.2172/2003704

Plimpton, S.J. (2021). MDI for code coupling, fftMPI, future plans [Presentation]. https://www.osti.gov/biblio/1895551

Plimpton, S.J. (2021). Thoughts on software for science [Presentation]. https://www.osti.gov/biblio/1900102

Mniszewski, S.M., Belak, J., Fattebert, J.L., Negre, C.F.A., Slattery, S.R., Adedoyin, A.A., Bird, R.F., Chang, C., Chen, G., Ethier, S., Fogerty, S., Habib, S., Junghans, C., Lebrun-Grandie, D., Mohd-Yusof, J., Moore, S.G., Osei-Kuffuor, D., Plimpton, S.J., Pope, A., … Wall, M.E. (2021). Enabling particle applications for exascale computing platforms. International Journal of High Performance Computing Applications, 35(6), pp. 572-597. https://doi.org/10.1177/10943420211022829

Plimpton, S.J. (2021). Input scripts and styles [Conference Presenation]. 10.2172/1890907

Plimpton, S.J. (2021). Additional features and more info [Conference Presenation]. 10.2172/1890892

Plimpton, S.J. (2021). Welcome to the LAMMPS Tutorial [Conference Presenation]. 10.2172/1890897

Thompson, A.P., Aktulga, H.M., Berger, R., Bolintineanu, D.S., Brown, W.M., Crozier, P., In 'T Veld, P.J., Kohlmeyer, A., Moore, S.G., Nguyen, T.D., Shan, R., Stevens, M.J., Tranchida, J., Trott, C.R., Plimpton, S.J., & Plimpton, S.J. (2021). $\mathrm{LAMMPS}$ - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications, 271. https://doi.org/10.1016/j.cpc.2021.108171

Plimpton, S.J. (2021). Recent Developments in LAMMPS [Conference Presenation]. 10.2172/1889354

Oldfield, R., Plimpton, S.J., Foulk, J.W., Poliakoff, D., Sornborger, A., & Sornborger, A. (2021). Memo regarding the Final Review of FY21 ASC L2 Milestone 7840: Neural Mini-Apps for Future Heterogeneous HPC Systems. 10.2172/1825628

Plimpton, S.J. (2021). How to modify LAMMPS [Conference Presenation]. 10.2172/1888427

Plimpton, S.J. (2021). What's New in LAMMPS [Conference Presenation]. 10.2172/1888402

Plimpton, S.J. (2021). How LAMMPS works internally [Conference Presenation]. 10.2172/1884671

Plimpton, S.J. (2021). Whirlwind tour of more advanced topics [Conference Presenation]. 10.2172/1888693

Plimpton, S.J. (2021). Styles, styles, styles [Conference Presenation]. 10.2172/1889557

Plimpton, S.J. (2021). How to learn more about LAMMPS [Conference Presenation]. 10.2172/1888982

Plimpton, S.J. (2021). The Ins and Outs of LAMMPS input scripts [Conference Presenation]. 10.2172/1883491

Plimpton, S.J. (2021). MDI with LAMMPS [Conference Presenation]. 10.2172/1873062

Moore, S.G., Plimpton, S.J., Gallis, M.A., & Gallis, M.A. (2021). Recent Improvements to the SPARTA DSMC Code [Conference Presenation]. 10.2172/1873259

Plimpton, S.J., Thompson, A.P., Wood, M., & Wood, M. (2021). LAMMPS as a tool in materials modeling workflows [Conference Presenation]. 10.2172/1853877

Plimpton, S.J., Knight, C., & Knight, C. (2021). Rendezvous algorithms for large-scale modeling and simulation. Journal of Parallel and Distributed Computing, 147, pp. 184-195. 10.1016/j.jpdc.2020.09.001

Plimpton, S.J. (2020). Rendezvous algorithms for large-scale particle simulations [Presentation]. https://www.osti.gov/biblio/1825827

Santos, A., Bolintineanu, D.S., Grest, G.S., Lechman, J.B., Plimpton, S.J., Srivastava, I., Silbert, L.E., & Silbert, L.E. (2020). Granular packings with sliding, rolling, and twisting friction. Physical Review E, 102(3). 10.1103/physreve.102.032903

Plimpton, S.J., Perez, D., Voter, A.F., & Voter, A.F. (2020). Parallel algorithms for hyperdynamics and local hyperdynamics. Journal of Chemical Physics, 153(5). 10.1063/5.0014448

Wood, M.A., Plimpton, S.J., Thompson, A.P., Perez, D., Niklasson, A., & Niklasson, A. (2020). A Path to the Exascale for Atomistic Simulations with Improved Accuracy Length and Time Scales [Conference Poster]. https://www.osti.gov/biblio/1783582

Plimpton, S.J. (2020). Rendezvous algorithms for large-scale particle simulations [Conference Poster]. https://www.osti.gov/biblio/1765645

Santos, A., Srivastava, I., Bolintineanu, D.S., Lechman, J.B., Grest, G.S., Plimpton, S.J., Silbert, L., & Silbert, L. (2020). Granular packings with sliding rolling and twisting friction [Conference Poster]. https://www.osti.gov/biblio/1783583

Plimpton, S.J. (2019). Ghosts of Parallel Computing: Past Present and Future [Conference Poster]. https://www.osti.gov/biblio/1763610

Plimpton, S.J. (2019). Aspherical particle models for molecular dynamics simulation. Computer Physics Communications, 243(C), pp. 12-24. 10.1016/j.cpc.2019.05.010

Plimpton, S.J. (2019). Implicit surface models in the SPARTA DSMC code [Conference Poster]. https://www.osti.gov/biblio/1642157

Plimpton, S.J. (2019). Accelerated MD for Rare-event Systems via the Hyperdynamics Method [Conference Poster]. https://www.osti.gov/biblio/1642162

Plimpton, S.J., Moore, S.G., Borner, A., Stagg, A.K., Koehler, T.P., Torczynski, J.R., Gallis, M.A., & Gallis, M.A. (2019). Direct simulation Monte Carlo on petaflop supercomputers and beyond. Physics of Fluids, 31(8). 10.1063/1.5108534

Plimpton, S.J. (2019). Welcome and What's New in LAMMPS [Conference Poster]. https://www.osti.gov/biblio/1641610

Marinella, M., Agarwal, S., Jacobs-Gedrim, R.B., Hughart, D.R., Richter, I., Hsia, A.W., Fuller, E.J., Talin, A.A., Goeke, R.S., Plimpton, S.J., James, C.D., & James, C.D. (2019). Ultra-Efficient Neuromorphic Algorithm Acceleration Enabled by Resistive Memory (ReRAM) Crossbars [Conference Poster]. https://www.osti.gov/biblio/1641227

Marinella, M., Agarwal, S., Jacobs-Gedrim, R.B., Hsia, A.W., Hughart, D.R., Richter, I., Fuller, E.J., Plimpton, S.J., Talin, A.A., James, C.D., & James, C.D. (2019). Ultra-Efficient Neural Algorithm Accelerator Using Processing With Memory [Conference Poster]. https://www.osti.gov/biblio/1641230

Marinella, M., Agarwal, S., Jacobs-Gedrim, R.B., Hughart, D.R., Richter, I., Hsia, A.W., Fuller, E.J., Talin, A.A., Goeke, R.S., Plimpton, S.J., James, C.D., & James, C.D. (2019). Ultra-Efficient Neuromorphic Algorithm Acceleration Enabled by Resistive Memory (ReRAM) Crossbars [Conference Poster]. https://www.osti.gov/biblio/1641228

Marinella, M., Agarwal, S., Jacobs-Gedrim, R.B., Hsia, A.W., Hughart, D.R., Richter, I., Fuller, E.J., Plimpton, S.J., Talin, A.A., James, C.D., & James, C.D. (2019). Ultra-Efficient Neural Algorithm Accelerator Using Processing With Memory (Poster) [Conference Poster]. https://www.osti.gov/biblio/1641229

Plimpton, S.J. (2019). Molecular dyamics: looking ahead to exascale [Conference Poster]. https://www.osti.gov/biblio/1639880

Plimpton, S.J. (2019). Lessons Learned from Developing LAMMPS [Conference Poster]. https://www.osti.gov/biblio/1639472

Berry, J., Phillips, C.A., Plimpton, S.J., Porter, A., Shead, T.M., & Shead, T.M. (2019). Maintaining Connected Components for Infinite Graph Streams [Conference Poster]. 10.1145/2501221.2501234

Plimpton, S.J. (2018). Kokkos for SNAP in the LAMMPS MD code [Presentation]. https://www.osti.gov/biblio/1643820

Tranchida, J., Thompson, A.P., Plimpton, S.J., Thibaudeau, P., & Thibaudeau, P. (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework [Presentation]. https://www.osti.gov/biblio/1582121

Salerno, K.M., Bolintineanu, D.S., Grest, G.S., Lechman, J.B., Plimpton, S.J., Srivastava, I., Silbert, L.E., & Silbert, L.E. (2018). Effect of shape and friction on the packing and flow of granular materials. Physical Review E, 98(5). 10.1103/PhysRevE.98.050901

Gallis, M.A., Torczynski, J.R., Bitter, N., Koehler, T.P., Moore, S.G., Plimpton, S.J., Papadakis, G., & Papadakis, G. (2018). DSMC Simulations of Turbulent Flows at Moderate Reynolds Numbers [Conference Poster]. 10.1063/1.5119564

Torczynski, J.R., Gallis, M.A., Bitter, N., Koehler, T.P., Plimpton, S.J., Papadakis, G., & Papadakis, G. (2018). Molecular-Gas-Dynamics Simulation of Turbulent Minimal Couette Flow [Conference Poster]. https://www.osti.gov/biblio/1592604

Mattox, T.I., Larentzos, J.P., Moore, S.G., Stone, C.P., Ibanez-Granados, D.A., Thompson, A.P., Lisal, M., Brennan, J.K., Plimpton, S.J., & Plimpton, S.J. (2018). Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale [Conference Poster]. Molecular Physics. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85046903325&origin=inward

Tranchida, J., Wood, M.A., Moore, S.G., Plimpton, S.J., Thompson, A.P., Thibaudeau, P., & Thibaudeau, P. (2018). Spin-orbit coupling and magnetic long-range dipolar interaction for coupled spin-lattice dynamics [Conference Poster]. https://www.osti.gov/biblio/1581554

Marinella, M., Agarwal, S., Jacobs-Gedrim, R.B., Hughart, D.R., Richter, I., Hsia, A.W., Fuller, E.J., Talin, A.A., Goeke, R.S., Plimpton, S.J., James, C.D., & James, C.D. (2018). Energy Efficient Neuromorphic Algorithm Acceleration Enabled by Resistive Memory (ReRAM) Crossbars [Conference Poster]. https://www.osti.gov/biblio/1583083

Gallis, M.A., Torczynski, J.R., Bitter, N., Koehler, T.P., Plimpton, S.J., Papadakis, G., & Papadakis, G. (2018). Gas-kinetic simulation of sustained turbulence in minimal Couette flow. Physical Review Fluids, 3(7). 10.1103/PhysRevFluids.3.071402