Downloads provided by UsageCounts
Gaussian approximation potential (GAP) for amorphous carbon [1]. It has been fitted with QUIP/GAP [1,2] by recomputing the a-C database of Deringer and Csányi [3] at the PBE+MBD level of theory [4,5] using the VASP code [6,7,8]. This potential uses 2-body (distance_2b) and 3-body (angle_3b) descriptors [3] plus SOAP-type descriptors (soap_turbo) [9,10], as implemented in the TurboGAP code [11]. The files can be used both with QUIP/GAP (compiled with the TurboGAP libraries) and TurboGAP. More details will follow in a scientific publication in due course (bibligraphical data will be added as it becomes available). Changes introduced in version 2 of this potential: More dimer configurations More graphite configurations A tabulated "core potential" to account for short-range repulsion and long-range dispersion interactions explicitly References A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010). LibAtoms: https://libatoms.github.io V.L. Deringer and G. Csányi. Phys. Rev. B 95, 094203 (2017). J.P. Perdew, K. Burke, and M. Ernzerhof. Phys Rev. Lett. 77, 3865 (1996). A. Tkatchenko, R.A. Di Stasio, R. Car, and M. Scheffler, Phys. Rev. Lett. 108, 236402 (2012). VASP: http://vasp.at G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996). T. Bucko, S. Lebègue, T. Gould, and J.G. Ángyán, J. Phys.: Condens. Matter 28, 045201 (2016). A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013). M.A. Caro. Phys. Rev. B 100, 024112 (2019). TurboGAP: http://turbogap.fi
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
| views | 60 | |
| downloads | 22 |

Views provided by UsageCounts
Downloads provided by UsageCounts