Artificial neural network potentials

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Artificial neural network potentials (ANNP) water ^[1] aqueous NaOH solutions ^[2] gold nanoparticles ^[3]

References

↑ Tobias Morawietz, Andreas Singraber, Christoph Dellago, and Jörg Behler "How van der Waals interactions determine the unique properties of water", PNAS 113 pp. 8368-8373 (2016)
↑ Matti Hellström and Jörg Behler "Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations", Physical Chemistry Chemical Physics 19 pp. 82-96 (2017)
↑ Siva Chiriki, Shweta Jindal, and Satya S. Bulusu "Neural network potentials for dynamics and thermodynamics of gold nanoparticles", Journal of Chemical Physics 146 084314 (2017)

Related reading

Jörg Behler "Constructing high-dimensional neural network potentials: A tutorial review", International Journal of Quantum Chemistry 115 pp. 1032-1050 (2015)

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