Behler J - Search Results

1

Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes.

Gastegger M, Kauffmann C, Behler J, Marquetand P. Gastegger M, et al. Among authors: behler j. J Chem Phys. 2016 May 21;144(19):194110. doi: 10.1063/1.4950815. J Chem Phys. 2016. PMID: 27208939

2

Atom-centered symmetry functions for constructing high-dimensional neural network potentials.

Behler J. Behler J. J Chem Phys. 2011 Feb 21;134(7):074106. doi: 10.1063/1.3553717. J Chem Phys. 2011. PMID: 21341827

3

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations.

Behler J. Behler J. Phys Chem Chem Phys. 2011 Oct 28;13(40):17930-55. doi: 10.1039/c1cp21668f. Epub 2011 Sep 13. Phys Chem Chem Phys. 2011. PMID: 21915403 Review.

4

A neural network potential-energy surface for the water dimer based on environment-dependent atomic energies and charges.

Morawietz T, Sharma V, Behler J. Morawietz T, et al. Among authors: behler j. J Chem Phys. 2012 Feb 14;136(6):064103. doi: 10.1063/1.3682557. J Chem Phys. 2012. PMID: 22360165

5

Construction of high-dimensional neural network potentials using environment-dependent atom pairs.

Jose KV, Artrith N, Behler J. Jose KV, et al. Among authors: behler j. J Chem Phys. 2012 May 21;136(19):194111. doi: 10.1063/1.4712397. J Chem Phys. 2012. PMID: 22612084

6

Representing potential energy surfaces by high-dimensional neural network potentials.

Behler J. Behler J. J Phys Condens Matter. 2014 May 7;26(18):183001. doi: 10.1088/0953-8984/26/18/183001. Epub 2014 Apr 23. J Phys Condens Matter. 2014. PMID: 24758952 Review.

7

Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials.

Kondati Natarajan S, Morawietz T, Behler J. Kondati Natarajan S, et al. Among authors: behler j. Phys Chem Chem Phys. 2015 Apr 7;17(13):8356-71. doi: 10.1039/c4cp04751f. Epub 2014 Dec 1. Phys Chem Chem Phys. 2015. PMID: 25436835

8

Neural network molecular dynamics simulations of solid-liquid interfaces: water at low-index copper surfaces.

Natarajan SK, Behler J. Natarajan SK, et al. Among authors: behler j. Phys Chem Chem Phys. 2016 Oct 19;18(41):28704-28725. doi: 10.1039/c6cp05711j. Phys Chem Chem Phys. 2016. PMID: 27722603

9

Mode specific dynamics in the H₂ + SH → H + H₂S reaction.

Lu D, Qi J, Yang M, Behler J, Song H, Li J. Lu D, et al. Among authors: behler j. Phys Chem Chem Phys. 2016 Oct 26;18(42):29113-29121. doi: 10.1039/c6cp05780b. Phys Chem Chem Phys. 2016. PMID: 27730236

10

Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations.

Hellström M, Behler J. Hellström M, et al. Among authors: behler j. Phys Chem Chem Phys. 2016 Dec 21;19(1):82-96. doi: 10.1039/c6cp06547c. Phys Chem Chem Phys. 2016. PMID: 27805193

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