Aidan P. Thompson

According to our database, Aidan P. Thompson authored at least 16 papers between 2013 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Permutation-adapted complete and independent basis for atomic cluster expansion descriptors.

James Goff, C. Sievers, Mitchell A. Wood, Aidan P. Thompson

J. Comput. Phys., 2024

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations.

Attila Cangi, Lenz Fiedler, Bartosz Brzoza, Karan Shah, Timothy J. Callow, Daniel Kotik, Steve Schmerler, Matthew C. Barry, James M. Goff, Andrew Rohskopf, Dayton J. Vogel, Normand A. Modine, Aidan P. Thompson, Sivasankaran Rajamanickam

CoRR, 2024

Breaking the mold: overcoming the time constraints of molecular dynamics on general-purpose hardware.

Danny Perez, Aidan P. Thompson, Stan G. Moore, Tomas Oppelstrup, Ilya Sharapov, Kylee Santos, Amirali Sharifian, Delyan Z. Kalchev, Robert Schreiber, Scott Pakin, Edgar A. Leon, James H. Laros III, Michael James, Sivasankaran Rajamanickam

CoRR, 2024

Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System.

Kylee Santos, Stan G. Moore, Tomas Oppelstrup, Amirali Sharifian, Ilya Sharapov, Aidan P. Thompson, Delyan Z. Kalchev, Danny Perez, Robert Schreiber, Scott Pakin, Edgar A. Leon, James H. Laros III, Michael James, Sivasankaran Rajamanickam

Proceedings of the International Conference for High Performance Computing, 2024

2023

Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism.

Germain Clavier, Aidan P. Thompson

Comput. Phys. Commun., May, 2023

FitSNAP: Atomistic machine learning with LAMMPS.

Andrew Rohskopf, C. Sievers, Nicholas Lubbers, Mary Alice Cusentnio, James Goff, Jan Janssen, Megan McCarthy, David Montes Oca de Zapiain, Svetoslav Nikolov, Khachik Sargsyan, Dionysios Sema, Ember Sikorski, Logan Williams, Aidan P. Thompson, Mitchell A. Wood

J. Open Source Softw., March, 2023

2022

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales.

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton

Comput. Phys. Commun., 2022

2021

Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales.

Kien Nguyen-Cong, Jonathan T. Willman, Stan G. Moore, Anatoly B. Belonoshko, Rahulkumar Gayatri, Evan Weinberg, Mitchell A. Wood, Aidan P. Thompson, Ivan I. Oleynik

Proceedings of the International Conference for High Performance Computing, 2021

2020

Rapid Exploration of Optimization Strategies on Advanced Architectures using TestSNAP and LAMMPS.

Rahulkumar Gayatri, Stan G. Moore, Evan Weinberg, Nicholas Lubbers, Sarah Anderson, Jack Deslippe, Danny Perez, Aidan P. Thompson

CoRR, 2020

Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks.

J. Austin Ellis, Attila Cangi, Normand A. Modine, J. Adam Stephens, Aidan P. Thompson, Sivasankaran Rajamanickam

CoRR, 2020

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys.

Anh Tran, Julien Tranchida, Tim Wildey, Aidan P. Thompson

CoRR, 2020

2018

Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics.

Julien Tranchida, Steven J. Plimpton, Pascal Thibaudeau, Aidan P. Thompson

J. Comput. Phys., 2018

2015

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials.

Aidan P. Thompson, Laura P. Swiler, Christian R. Trott, S. M. Foiles, Garritt J. Tucker

J. Comput. Phys., 2015

A study of the viability of exploiting memory content similarity to improve resilience to memory errors.

Scott Levy, Kurt B. Ferreira, Patrick G. Bridges, Aidan P. Thompson, Christian R. Trott

Int. J. High Perform. Comput. Appl., 2015

2014

SNAP: Strong Scaling High Fidelity Molecular Dynamics Simulations on Leadership-Class Computing Platforms.

Christian R. Trott, Simon D. Hammond, Aidan P. Thompson

Proceedings of the Supercomputing - 29th International Conference, 2014

2013

Evaluating the feasibility of using memory content similarity to improve system resilience.

Scott Levy, Patrick G. Bridges, Kurt B. Ferreira, Aidan P. Thompson, Christian R. Trott

Proceedings of the 3rd International Workshop on Runtime and Operating Systems for Supercomputers, 2013