Quantum fluctuations sampling by means of classical molecular dynamics
We study a new method devised to sample the canonical ensemble [H. Dammak et al., Phys. Rev. Lett. 103, 190601 (2009)], which includes quantum fluctuations by means of classical Molecular Dynamics. This method is based on classical stochastic thermostats, except that it uses colored noise, instead o...
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| Formato: | Online |
| Lenguaje: | portugués |
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Universidade Estadual de Campinas
2020
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| Acceso en línea: | https://econtents.sbu.unicamp.br/eventos/index.php/phyproceedings/article/view/3237 |
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| _version_ | 1864358291018088448 |
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| author | Barrozo , Alexandre Hernandes |
| author_facet | Barrozo , Alexandre Hernandes |
| author_sort | Barrozo , Alexandre Hernandes |
| collection | Portal de Eventos Científicos da UNICAMP |
| container_reference | Physicae Proceedings; Vol. 1 No. 1 (2012): Proceedings XI Young Researchers Meeting ; 1-1 |
| description | We study a new method devised to sample the canonical ensemble [H. Dammak et al., Phys. Rev. Lett. 103, 190601 (2009)], which includes quantum fluctuations by means of classical Molecular Dynamics. This method is based on classical stochastic thermostats, except that it uses colored noise, instead of a white one. We show that, although we have excelent results for the harmonic oscillator case, problems arise while studying anharmonic potentials, in which the method sample distributions that are fundamentally incorrect. A suggestion about where is the problem is given, but no solutions until the moment. |
| first_indexed | 2025-10-08T13:49:16Z |
| format | Online |
| id | ojs-article-3237 |
| institution | Universidade Estadual de Campinas |
| issn | 2236-7535 |
| language | por |
| last_indexed | 2025-10-08T13:49:16Z |
| publishDate | 2020 |
| publisher | Universidade Estadual de Campinas |
| record_format | ojs |
| spelling | ojs-article-32372020-05-15T15:30:07Z Quantum fluctuations sampling by means of classical molecular dynamics Barrozo , Alexandre Hernandes Quantum fluctuations Classical molecular dynamics We study a new method devised to sample the canonical ensemble [H. Dammak et al., Phys. Rev. Lett. 103, 190601 (2009)], which includes quantum fluctuations by means of classical Molecular Dynamics. This method is based on classical stochastic thermostats, except that it uses colored noise, instead of a white one. We show that, although we have excelent results for the harmonic oscillator case, problems arise while studying anharmonic potentials, in which the method sample distributions that are fundamentally incorrect. A suggestion about where is the problem is given, but no solutions until the moment. Universidade Estadual de Campinas 2020-05-15 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://econtents.sbu.unicamp.br/eventos/index.php/phyproceedings/article/view/3237 Physicae Proceedings; Vol. 1 No. 1 (2012): Proceedings XI Young Researchers Meeting ; 1-1 Physicae Proceedings; v. 1 n. 1 (2012): Proceedings XI Young Researchers Meeting ; 1-1 2236-7535 por https://econtents.sbu.unicamp.br/eventos/index.php/phyproceedings/article/view/3237/3175 Copyright (c) 2012 Physicae |
| spellingShingle | Barrozo , Alexandre Hernandes Quantum fluctuations Classical molecular dynamics Quantum fluctuations sampling by means of classical molecular dynamics |
| title | Quantum fluctuations sampling by means of classical molecular dynamics |
| title_full | Quantum fluctuations sampling by means of classical molecular dynamics |
| title_fullStr | Quantum fluctuations sampling by means of classical molecular dynamics |
| title_full_unstemmed | Quantum fluctuations sampling by means of classical molecular dynamics |
| title_short | Quantum fluctuations sampling by means of classical molecular dynamics |
| title_sort | quantum fluctuations sampling by means of classical molecular dynamics |
| topic | Quantum fluctuations Classical molecular dynamics |
| url | https://econtents.sbu.unicamp.br/eventos/index.php/phyproceedings/article/view/3237 |
| work_keys_str_mv | AT barrozoalexandrehernandes quantumfluctuationssamplingbymeansofclassicalmoleculardynamics |
