E-LIB Suche - Ergebnisse für: Thompson, Aidan P

1

Extreme Metastability of Diamond and its Transformation to ..:

Nguyen-Cong, Kien ; Willman, Jonathan T. ; Gonzalez, Joseph M....
The Journal of Physical Chemistry Letters. 15 (2024) 4 - p. 1152-1160 , 2024

Link: https://doi.org/10.1021/..

2

Computation of the thermal elastic constants for arbitrary ..:

Clavier, Germain ; Thompson, Aidan P.
Computer Physics Communications. 286 (2023) - p. 108674 , 2023

Link: https://doi.org/10.1016/..

3

Parallel simulation via SPPARKS of on-lattice kinetic and M..:

Mitchell, John A ; Abdeljawad, Fadi ; Battaile, Corbett...
Modelling and Simulation in Materials Science and Engineering. 31 (2023) 5 - p. 055001 , 2023

Link: https://doi.org/10.1088/..

4

Predicting electronic structures at any length scale with m..:

Fiedler, Lenz ; Modine, Normand A. ; Schmerler, Steve...
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

5

LAMMPS - a flexible simulation tool for particle-based mate..:

Thompson, Aidan P. ; Aktulga, H. Metin ; Berger, Richard...
Computer Physics Communications. 271 (2022) - p. 108171 , 2022

Link: https://doi.org/10.1016/..

6

Training data selection for accuracy and transferability of..:

Montes de Oca Zapiain, David ; Wood, Mitchell A. ; Lubbers, Nicholas...
npj Computational Materials. 8 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

7

Data-driven magneto-elastic predictions with scalable class..:

Nikolov, Svetoslav ; Wood, Mitchell A. ; Cangi, Attila...
npj Computational Materials. 7 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

8

Billion atom molecular dynamics simulations of carbon at ex..:

, In: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis,

Nguyen-Cong, Kien ; Willman, Jonathan T. ; Moore, Stan G.... - p. 1-12 , 2021

Link: https://dl.acm.org/doi/1..

9

Performance and Cost Assessment of Machine Learning Interat..:

Zuo, Yunxing ; Chen, Chi ; Li, Xiangguo...
The Journal of Physical Chemistry A. 124 (2020) 4 - p. 731-745 , 2020

Link: https://doi.org/10.1021/..

10

Multi-fidelity machine-learning with uncertainty quantifica..:

Tran, Anh ; Tranchida, Julien ; Wildey, Tim.
The Journal of Chemical Physics. 153 (2020) 7 - p. 074705 , 2020

Link: https://doi.org/10.1063/..

11

The Value of Character-Based Judgement in the Professional ..:

Arthur, James ; Earl, Stephen R. ; Thompson, Aidan P..
Journal of Business Ethics. 169 (2019) 2 - p. 293-308 , 2019

Link: https://doi.org/10.1007/..

12

Highly scalable discrete-particle simulations with novel co..:

Mattox, Timothy I. ; Larentzos, James P. ; Moore, Stan G....
Molecular Physics. 116 (2018) 15-16 - p. 2061-2069 , 2018

Link: https://doi.org/10.1080/..

13

Extending the accuracy of the SNAP interatomic potential fo..:

Wood, Mitchell A. ; Thompson, Aidan P.
The Journal of Chemical Physics. 148 (2018) 24 - p. , 2018

Link: https://doi.org/10.1063/..

14

Water desorption from rapidly-heated metal oxide surfaces—f..:

Lane, J Matthew D ; Leung, Kevin ; Thompson, Aidan P.
Journal of Physics: Condensed Matter. 30 (2018) 46 - p. 465002 , 2018

Link: https://doi.org/10.1088/..

15

Reactive atomistic simulations of shock-induced initiation ..:

Thompson, Aidan P ; Shan, Tzu-Ray
Journal of Physics: Conference Series. 500 (2014) 5 - p. 052046 , 2014

Link: https://doi.org/10.1088/..