Zobrazeno 1 - 4
of 4
pro vyhledávání: '"James Damewood"'
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-10 (2022)
Abstract Calculating thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials science. However, naive Monte Carlo approaches, on which such calculations are often
Externí odkaz:
https://doaj.org/article/aad8204d3665426fb622efd1a727c0ef
Autor:
Simon Axelrod, Daniel Schwalbe-Koda, Somesh Mohapatra, James Damewood, Kevin P. Greenman, Rafael Gómez-Bombarelli
Publikováno v:
Accounts of Materials Research. 3:343-357
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cddc7f43745c61dbe68e1b516f69f6bd
https://doi.org/10.1021/accountsmr.1c00238
https://doi.org/10.1021/accountsmr.1c00238
Autor:
Ahmed A. Farghaly, Magali Ferrandon, Daniel Schwalbe-Koda, James Damewood, Jessica Karaguesian, Rafael Gómez-Bombarelli, Deborah J. Myers
Publikováno v:
ECS Meeting Abstracts. :1673-1673
Accelerating the development and discovery of new catalysts is vital for advancing many electrochemical energy conversion technologies (EECT) required to achieve a sustainable future utilizing carbon-free fuel, a circular economy, and to meet the gra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83939573517de20856c6a922ef7f4dc2
https://doi.org/10.1149/ma2022-02441673mtgabs
https://doi.org/10.1149/ma2022-02441673mtgabs
Calculating thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials science. However, naive Monte Carlo approaches, on which such calculations are often dependen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fc300668bebcbaf3cc555a61021e0e6
http://arxiv.org/abs/2107.05109
http://arxiv.org/abs/2107.05109
