Aidan P. Thompson

18 papers A 2C 1Journal 14Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations. Comput. Phys. Commun. 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
2024	A	`conf`	Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System. SC 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
2024	J	`jnl`	Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System. CoRR 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
2024	J	`jnl`	Breaking the mold: overcoming the time constraints of molecular dynamics on general-purpose hardware. CoRR 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
2024	J	`jnl`	Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations. CoRR 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
2024	J	`jnl`	Permutation-adapted complete and independent basis for atomic cluster expansion descriptors. J. Comput. Phys. James Goff, C. Sievers, Mitchell A. Wood, Aidan P. Thompson
2023	J	`jnl`	Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism. Comput. Phys. Commun. Germain Clavier, Aidan P. Thompson
2023	J	`jnl`	FitSNAP: Atomistic machine learning with LAMMPS. J. Open Source Softw. Andrew Rohskopf, C. Sievers, Nicholas Lubbers, Mary Alice Cusentnio, James Goff, Jan Janssen, Megan J. McCarthy, David Montes Oca de Zapiain, Svetoslav Nikolov, Khachik Sargsyan, Dionysios Sema, Ember Sikorski, Logan Williams, Aidan P. Thompson, Mitchell A. Wood
2022	J	`jnl`	LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput. Phys. Commun. 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
2021	A	`conf`	Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales. SC 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
2020	J	`jnl`	Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks. CoRR J. Austin Ellis, Attila Cangi, Normand A. Modine, J. Adam Stephens, Aidan P. Thompson, Sivasankaran Rajamanickam
2020	J	`jnl`	Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys. CoRR Anh Tran, Julien Tranchida, Tim Wildey, Aidan P. Thompson
2020	J	`jnl`	Rapid Exploration of Optimization Strategies on Advanced Architectures using TestSNAP and LAMMPS. CoRR Rahulkumar Gayatri, Stan G. Moore, Evan Weinberg, Nicholas Lubbers, Sarah Anderson, Jack Deslippe, Danny Perez, Aidan P. Thompson
2018	J	`jnl`	Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics. J. Comput. Phys. Julien Tranchida, Steven J. Plimpton, Pascal Thibaudeau, Aidan P. Thompson
2015	J	`jnl`	A study of the viability of exploiting memory content similarity to improve resilience to memory errors. Int. J. High Perform. Comput. Appl. Scott Levy, Kurt B. Ferreira, Patrick G. Bridges, Aidan P. Thompson, Christian R. Trott
2015	J	`jnl`	Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials. J. Comput. Phys. Aidan P. Thompson, Laura P. Swiler, Christian R. Trott, S. M. Foiles, Garritt J. Tucker
2014	C	`conf`	SNAP: Strong Scaling High Fidelity Molecular Dynamics Simulations on Leadership-Class Computing Platforms. ISC Christian R. Trott, Simon D. Hammond, Aidan P. Thompson
2013	—	`conf`	Evaluating the feasibility of using memory content similarity to improve system resilience. ROSS@ICS Scott Levy, Patrick G. Bridges, Kurt B. Ferreira, Aidan P. Thompson, Christian R. Trott