Exact and efficient calculation of the derivatives of Lagrange multipliers for molecular dynamics simulations of biological molecules and polymers

Autor:	Pablo García-Risueño
Rok vydání:	2019
Předmět:	Physics chemistry.chemical_classification Molecular dynamics symbols.namesake Classical mechanics chemistry Biomolecule Lagrange multiplier symbols Polymer Condensed Matter Physics Mathematical Physics Atomic and Molecular Physics and Optics
Zdroj:	Physica Scripta. 94:115404
ISSN:	1402-4896 0031-8949
DOI:	10.1088/1402-4896/ab2b54
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1c6fd1aa496298524084710d59ba3e44 https://doi.org/10.1088/1402-4896/ab2b54 Zobrazit plný text záznamu