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Publication	Type	Year
Atomistic Simulation of Void Collapse in Hexanitrostilbene American Physical Society March Meeting Aidan P. Thompson, Tzu-Ray Shan, Ryan R. Wixom, Cole Yarrington https://www.osti.gov/search/identifier:1365277	Conference Paper – 2016 Conference Paper	2016
Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-core Architectures IEEE Transactions on Parallel and Distributed Systems Tzu-Ray Shan, hasan metin Aktulga (MIch. St. U), Chris Knight (ANL), Paul Coffman (ANL), Wei Jiang (ANL) https://www.osti.gov/search/identifier:1427253	Journal Article – 2015 Journal Article	2015
Maintainability and Performance for LAMMPS Sc15 Christian Robert Trott, Tzu-Ray Shan, Stan Gerald Moore, Aidan P. Thompson, Steven J. Plimpton https://www.osti.gov/search/identifier:1333472	Conference Paper – 2015 Conference Paper	2015
Sustainability and Performance for through Kokkos - A case study with LAMMPS Gtc 2016 Christian Robert Trott, Simon David Hammond, Tzu-Ray Shan, Stan Gerald Moore	Abstract – 2015 Abstract	2015
Reactive molecular dynamics simulations in LAMMPS Scienomics 2015 Meeting Tzu-Ray Shan https://www.osti.gov/search/identifier:1331412	Conference Paper – 2015 Conference Paper	2015
Maintainability and Performance for LAMMPS SC15 WorkshopProducing High Performance and Sustainable Software for Molecular Simulation Christian Robert Trott, Aidan P. Thompson, Steven J. Plimpton, Stan Gerald Moore, Tzu-Ray Shan https://www.osti.gov/search/identifier:1338008	Conference Paper – 2015 Conference Paper	2015
Nanostructure-enhanced Chemical Reactivity and Detonation in Energetic Materials Tzu-Ray Shan, Aidan P. Thompson https://www.osti.gov/search/identifier:1214610	Report – 2015 Report	2015
Nanostructure-enhanced Chemical Reactivity and Detonation in Energetic Materials Tzu-Ray Shan, Aidan P. Thompson https://www.osti.gov/search/identifier:1214609	Report – 2015 Report	2015
Reactive Molecular Dynamics Simulations of Hot Spot Growth in Shocked Energetic Materials CCC8-133 Tzu-Ray Shan https://www.osti.gov/search/identifier:1214250	Report – 2015 Report	2015
Variable charge equilibration in LAMMPS LAMMPS Users Workshop and Symposium Tzu-Ray Shan https://www.osti.gov/search/identifier:1301964	Conference Paper – 2015 Conference Paper	2015
Kokkos Package--Targeting Next-Generation Platforms in LAMMPS LAMMPS Users' Workshop and Symposium Stan Gerald Moore, Tzu-Ray Shan	Abstract – 2015 Abstract	2015
Kokkos Package--Targeting Next-Generation Platforms in LAMMPS LAMMPS Users' Workshop and Symposium Stan Gerald Moore, Tzu-Ray Shan https://www.osti.gov/search/identifier:1279687	Conference Paper – 2015 Conference Paper	2015
Fast Charge Equilibration Solver for Variable Charge Potentials Materials Research Society (MRS) Fall Meeting and Exhibit Tzu-Ray Shan, Aidan P. Thompson, Steven J. Plimpton	Abstract – 2015 Abstract	2015
Atomistic Simulation of Initiation in Hexanitrostilbene (HNS) 19th biennial APS Shock Compression of Condensed Matter conference (SCCM-2015) Tzu-Ray Shan, Aidan P. Thompson, Cole Yarrington, David E. Kittell, Ryan R. Wixom https://www.osti.gov/search/identifier:1263501	Conference Paper – 2015 Conference Paper	2015
Grain Scale Modeling -- Impact of Constitutive Models 19th Biennial APS Conference on Shock Compression of Condensed Matter Cole Yarrington, Ryan R. Wixom, David E. Kittell, Aidan P. Thompson, Tzu-Ray Shan https://www.osti.gov/search/identifier:1257685	Conference Paper – 2015 Conference Paper	2015
Enabling Performance Portability for Large-scale Atomistic Simulations on Next-Generation Computing Architectures Enabling Methods for Materials InnovationFrom Quantum to Mesoscale Tzu-Ray Shan https://www.osti.gov/search/identifier:1255784	Conference Paper – 2015 Conference Paper	2015
Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in PETN American Physical Society March 2015 Meeting Tzu-Ray Shan, Ryan R. Wixom, Aidan P. Thompson https://www.osti.gov/search/identifier:1239964	Conference Paper – 2015 Conference Paper	2015
Grain Scale Modeling - Impact of Constitutive Models 2015 Aps-sccm Cole Yarrington, Ryan R. Wixom, Aidan P. Thompson, Tzu-Ray Shan	Abstract – 2015 Abstract	2015
Atomistic Simulation of Micron-scale Void-Enhanced Initiation in Hexanitrostilbene Joing 41st International Pyrotechnics Society/2015 Europyro Tzu-Ray Shan, Aidan P. Thompson, Ryan R. Wixom	Abstract – 2014 Abstract	2014
Nanoscale Void-Enhanced Initiation in Hexanitrostilbene: Reactive Molecular Dynamics Simulations 15th International Detonation Symposium Tzu-Ray Shan, Ryan R. Wixom, Aidan P. Thompson https://www.osti.gov/search/identifier:1496685	Presentation (non-conference) – 2014 Presentation (non-conference)	2014
Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in pentaerythritol tetranitrate (PETN) 15th International Detonation Symposium Tzu-Ray Shan, Aidan P. Thompson https://www.osti.gov/search/identifier:1496676	Presentation (non-conference) – 2014 Presentation (non-conference)	2014
Micron-scale Reactive Atomistic Simulations of Void Collapse and Hotspot Growth in Pentaerythritol Tetranitrate The 15th International Detonation Symposium Tzu-Ray Shan, Aidan P. Thompson https://www.osti.gov/search/identifier:1182980	Journal Article – 2014 Journal Article	2014
Nanoscale Void-Enhanced Initiation in Hexanitrostilbene 15th International Detonation Symposium Tzu-Ray Shan, Ryan R. Wixom, Aidan P. Thompson https://www.osti.gov/search/identifier:1182982	Journal Article – 2014 Journal Article	2014
Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil 2013 Joint APS-SCCM/AIRAPT Conference Aidan P. Thompson, Tzu-Ray Shan https://www.osti.gov/search/identifier:1114601	Conference Paper – 2013 Conference Paper	2013
Large-scale Molecular Dynamics Simulations with LAMMPS Computational Materials Science Initiative International Symposium 2013 Tzu-Ray Shan, Aidan P. Thompson, Steven J. Plimpton https://www.osti.gov/search/identifier:1115164	Conference Paper – 2013 Conference Paper	2013
Document Title	Type	Year

Results 1–25 of 29

Publications

Atomistic Simulation of Void Collapse in Hexanitrostilbene

Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-core Architectures

Maintainability and Performance for LAMMPS

Sustainability and Performance for through Kokkos - A case study with LAMMPS

Reactive molecular dynamics simulations in LAMMPS

Maintainability and Performance for LAMMPS

Nanostructure-enhanced Chemical Reactivity and Detonation in Energetic Materials

Nanostructure-enhanced Chemical Reactivity and Detonation in Energetic Materials

Reactive Molecular Dynamics Simulations of Hot Spot Growth in Shocked Energetic Materials CCC8-133

Variable charge equilibration in LAMMPS

Kokkos Package--Targeting Next-Generation Platforms in LAMMPS

Kokkos Package--Targeting Next-Generation Platforms in LAMMPS

Fast Charge Equilibration Solver for Variable Charge Potentials

Atomistic Simulation of Initiation in Hexanitrostilbene (HNS)

Grain Scale Modeling -- Impact of Constitutive Models

Enabling Performance Portability for Large-scale Atomistic Simulations on Next-Generation Computing Architectures

Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in PETN

Grain Scale Modeling - Impact of Constitutive Models

Atomistic Simulation of Micron-scale Void-Enhanced Initiation in Hexanitrostilbene

Nanoscale Void-Enhanced Initiation in Hexanitrostilbene: Reactive Molecular Dynamics Simulations

Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in pentaerythritol tetranitrate (PETN)

Micron-scale Reactive Atomistic Simulations of Void Collapse and Hotspot Growth in Pentaerythritol Tetranitrate

Nanoscale Void-Enhanced Initiation in Hexanitrostilbene

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

Large-scale Molecular Dynamics Simulations with LAMMPS