Publications using the ænet code

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ænet Core

2018

V. Lacivita*, N Artrith, and G. Ceder*,
“The Structural and Compositional Factors that Control the Li-Ion Conductivity in LiPON Electrolytes”,
Chem. Mater. 30 (2018) 7077-7090.

N. Artrith*, A. Urban, and G. Ceder*,
“Constructing First-Principles Phase Diagrams of Amorphous LixSi using Machine-Learning-Assisted Sampling with an Evolutionary Algorithm”,
J. Chem. Phys. 148 (2018) 241711. (Editor’s Pick) (preprint)

2017

N. Artrith*, A. Urban, and G. Ceder*,
“Efficient and Accurate Machine-Learning Interpolation of Atomic Energies in Compositions with Many Species”,
Phys. Rev. B 96 (2017) 014112. (preprint)

2016

J.S. Elias, N. Artrith, M. Bugnet, L. Giordano, G.A. Botton, A.M. Kolpak, and Y. Shao-Horn*,
“Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation”,
ACS Catal. 6 (2016) 1675-1679.

N. Artrith* and A. Urban,
“An Implementation of Artificial Neural-Network Potentials for Atomistic Materials Simulations: Performance for TiO2”,
Comput. Mater. Sci. 114 (2016) 135-150. (Editor’s Choice)

2015

N. Artrith* and A.M. Kolpak,
“Grand Canonical Molecular Dynamics Simulations of Cu-Au Nanoalloys in Thermal Equilibrium using Reactive ANN Potentials”,
Comput. Mater. Sci. 110 (2015) 20-28.

2014

N. Artrith* and A.M. Kolpak,
“Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials”,
Nano Lett. 14 (2014) 2670–2676.


ænet Users

Please let us know if you would like to have your publications listed on the ænet website. Thank you all for your support and for your help improving ænet.


Acknowledgment

This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575.