
doi: 10.5281/zenodo.10044373 , 10.5281/zenodo.2543925 , 10.5281/zenodo.4009055 , 10.5281/zenodo.2573284 , 10.5281/zenodo.7090998 , 10.5281/zenodo.15499079 , 10.5281/zenodo.5691916 , 10.5281/zenodo.17977592 , 10.5281/zenodo.1158618 , 10.5281/zenodo.17191252 , 10.5281/zenodo.5774063 , 10.5281/zenodo.5803851 , 10.5281/zenodo.7057804 , 10.5281/zenodo.7114169 , 10.5281/zenodo.6061381 , 10.5281/zenodo.2647678 , 10.5281/zenodo.17484612 , 10.5281/zenodo.2252431 , 10.5281/zenodo.1129394 , 10.5281/zenodo.15299684 , 10.5281/zenodo.5503638 , 10.5281/zenodo.6053408 , 10.5281/zenodo.4037256 , 10.5281/zenodo.13338080 , 10.5281/zenodo.2647587 , 10.5281/zenodo.1451918 , 10.5281/zenodo.1188377 , 10.5281/zenodo.11198568 , 10.5281/zenodo.16932351 , 10.5281/zenodo.995666 , 10.5281/zenodo.1494362 , 10.5281/zenodo.11122339 , 10.5281/zenodo.6569364 , 10.5281/zenodo.10108287 , 10.5281/zenodo.1009421 , 10.5281/zenodo.17718551 , 10.5281/zenodo.7978812 , 10.5281/zenodo.15425350 , 10.5281/zenodo.995667 , 10.5281/zenodo.1302301 , 10.5281/zenodo.7538502 , 10.5281/zenodo.6117531 , 10.5281/zenodo.5920785 , 10.5281/zenodo.5518993 , 10.5281/zenodo.7789250 , 10.5281/zenodo.1321311 , 10.5281/zenodo.5716135 , 10.5281/zenodo.10928098 , 10.5281/zenodo.18368669
doi: 10.5281/zenodo.10044373 , 10.5281/zenodo.2543925 , 10.5281/zenodo.4009055 , 10.5281/zenodo.2573284 , 10.5281/zenodo.7090998 , 10.5281/zenodo.15499079 , 10.5281/zenodo.5691916 , 10.5281/zenodo.17977592 , 10.5281/zenodo.1158618 , 10.5281/zenodo.17191252 , 10.5281/zenodo.5774063 , 10.5281/zenodo.5803851 , 10.5281/zenodo.7057804 , 10.5281/zenodo.7114169 , 10.5281/zenodo.6061381 , 10.5281/zenodo.2647678 , 10.5281/zenodo.17484612 , 10.5281/zenodo.2252431 , 10.5281/zenodo.1129394 , 10.5281/zenodo.15299684 , 10.5281/zenodo.5503638 , 10.5281/zenodo.6053408 , 10.5281/zenodo.4037256 , 10.5281/zenodo.13338080 , 10.5281/zenodo.2647587 , 10.5281/zenodo.1451918 , 10.5281/zenodo.1188377 , 10.5281/zenodo.11198568 , 10.5281/zenodo.16932351 , 10.5281/zenodo.995666 , 10.5281/zenodo.1494362 , 10.5281/zenodo.11122339 , 10.5281/zenodo.6569364 , 10.5281/zenodo.10108287 , 10.5281/zenodo.1009421 , 10.5281/zenodo.17718551 , 10.5281/zenodo.7978812 , 10.5281/zenodo.15425350 , 10.5281/zenodo.995667 , 10.5281/zenodo.1302301 , 10.5281/zenodo.7538502 , 10.5281/zenodo.6117531 , 10.5281/zenodo.5920785 , 10.5281/zenodo.5518993 , 10.5281/zenodo.7789250 , 10.5281/zenodo.1321311 , 10.5281/zenodo.5716135 , 10.5281/zenodo.10928098 , 10.5281/zenodo.18368669
New features: A new keyword electron_stop in run.in to apply electron stopping. A new keyword compte_rdf in run.in to compute the radial distribution function (RDF). A new keyword mc in run.in to perform effiicient MCMD simulations in canonical, semi-grand canonical, and variance-constraint semi-grand canonical ensembles with a NEP model (only). A new keyword dftd3 in run.in to add the D3 correction to a NEP model (only). A new keyword replicate in run.in to replicate the initial model. A set of new ensemble options npt_mttk, nph_mttk, and nvt_mttk. A new keyword ensemble ti_spring for free-energy calculations using the nonequilibrium thermodynamic integration method. A new keyword ensemble msst for multi-scale shock technique (MSST) simulations. A new keyword compute_lsqt to compute the electronic transport properties by coupling MD and linear scaling quantum transport (LSQT). A new option fire for the keyword minimize in run.in. A new option has_potential for the keyword dump_exyz in run.in.
| 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). | 6 | |
| 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. | Top 10% | |
| 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 |
