General-purpose GAP potential for platinum

<p><strong>Gaussian approximation potential</strong>&nbsp;(GAP)&nbsp;[1] for&nbsp;<strong>platinum</strong>. It has been fitted with&nbsp;<strong>QUIP/GAP&nbsp;</strong>[1,2] by generating a new database of atomic structures containing:</p> <ol> <li>dimers;</li> <li>fcc, bcc, hcp and simple-cubic supercells, including strained, distorted and&nbsp;high-temperature configurations;</li> <li>surface slabs;</li> <li>clusters (nanoparticles).</li> </ol> <p>Version 2 of this potential included more clusters in the training set than version 1.</p> <p>The calculations were carried out at&nbsp;the&nbsp;<strong>PBE</strong>&nbsp;level of theory [3] using the VASP code [4,5]. This potential uses&nbsp;<strong>2-body</strong>&nbsp;(distance_2b) and&nbsp;<strong>SOAP-type descriptors</strong>&nbsp;(soap_turbo) [6,7]. The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and <strong>TurboGAP</strong> [8]. This is the reference publication for this potential:</p> <blockquote> <p><strong>J. Kloppenburg, L. B. P&aacute;rtay, H. J&oacute;nsson, M.&nbsp;A. Caro</strong>. &quot;A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles&quot;.&nbsp;<a href="https://doi.org/10.1063/5.0143891">J. Chem. Phys.&nbsp;<strong>158</strong>, 134704 (2023)</a></p> </blockquote> <p><strong>References</strong></p> <ol> <li>A.P. Bart&oacute;k, M.C. Payne, R. Kondor, and G. Cs&aacute;nyi. Phys. Rev. Lett. 104, 136403 (2010).</li> <li>LibAtoms:&nbsp;<a href="https://libatoms.github.io/">https://libatoms.github.io</a></li> <li>J.P. Perdew, K. Burke and M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996).</li> <li>VASP:&nbsp;<a href="http://vasp.at/">http://vasp.at</a></li> <li>G. Kresse and J. Furthm&uuml;ller. Phys. Rev. B 54, 11169 (1996).</li> <li>A.P. Bart&oacute;k, R. Kondor, and G. Cs&aacute;nyi. Phys. Rev. B 87, 184115 (2013).</li> <li>M.A. Caro. Phys. Rev. B 100, 024112 (2019).</li> <li>TurboGAP:&nbsp;<a href="http://turbogap.fi/">http://turbogap.fi</a></li> </ol>