Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Edgar M. Makarov"'
Bayesian learning of thermodynamic integration and numerical convergence for accurate phase diagrams
Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free-energy functions using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cb58cc829a8edb126dcd69b05f06e62
Autor:
Vasily Vorobyev, V. A. Emel’yanov, I. A. Baidina, Sergey V. Tkachev, Olga A. Plusnina, Anton I. Smolentsev, Edgar M. Makarov, Tatyana I. Asanova
Publikováno v:
European Journal of Inorganic Chemistry. 2017:971-978
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f148c3d2b2c41c30b240b6872cdebe6
https://doi.org/10.1002/ejic.201601233
https://doi.org/10.1002/ejic.201601233
Publikováno v:
Mendeleev Communications. 28:601-602
The procedure of alumina support modification by treatment with NO was developed and tested for the improvements in the resistance of supported metal particles against sintering. The stabilization effect caused by a formation of aluminum oxynitrides
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c14705cac2ef161b88fb599430b9dca
https://doi.org/10.1016/j.mencom.2018.11.012
https://doi.org/10.1016/j.mencom.2018.11.012